IDENTITY
结构与身份
- 标准 SMILES
- C=CC[N+](C)(C)CC=C.[Cl-]
- InChIKey
- GQOKIYDTHHZSCJ-UHFFFAOYSA-M
- 分子式
- C8H16ClN
- 平均分子量
- 161.67 g/mol
- 单同位素质量
- 161.0971272
COMPUTED
结构计算性质
- 极性表面积
- 0 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 4
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 91
PROPERTIES
实验与物化性质
LogP
log Kow = -2.49 /Estimated/
Color/Form
Solid
Solubility
Miscible /Estimated/
Vapor Pressure
0.00000353 [mmHg]
Physical Description
Liquid
Solid; [HSDB]
Autoignition Temperature
>200 °C.
GHS
GHS 分类
GHS Classification
This chemical does not meet GHS hazard criteria for 61.9% (380 of 614) of all reports.
H412 (36%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 614 reports by companies from 7 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 380 of 614 reports by companies.;There are 5 notifications provided by 234 of 614 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
Chemical: 2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride
2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 17-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14691
2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
IMAP assessments - 2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride: Human health tier I assessment
Hazards Summary
Adverse effects after intermittent oral doses of 42 grams/kg over 6 weeks include weight loss and changes in the liver and renal tubules; [RTECS] An irritant; [MSDSonline]
Special Reports
The U.S. high production volume (HPV) chemicals are those which are manufactured in or imported into the United States in amounts equal to or greater than one million pounds per year. Robust Summaries include health effects, ecotoxicity data, and environmental fate information for selected chemicals. EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans. Available from: http://www.epa.gov/chemrtk/viewsrch.htm on Diallyldimethylammonium Chloride as of November 10, 2004.
Hazard Classes and Categories
Aquatic Chronic 3 (36%)
SAFETY
安全与防护
Fire Fighting Procedures
This product does not burn in aqueous solution. No special precautions are required. In case of fire, wear a self contained breathing apparatus. Keep containers cool during fire with water spray.
Storage Conditions
Store in contact with air. Do not exceed storage temperature of 30 °C. Protect from light.
Cleanup Methods
In case of accidental release, do not allow product to enter drains. Do not contaminate water. Dam up spills. Soak with inert absorbent material. If liquid has been spilled in large quantities, clean up promptly by scoop or vacuum. Keep in suitable and closed containers for disposal. After cleaning, flush area with water.
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Preventive Measures
Avoid all contact with the product by ingestion, inhalation or contact with the skin, eyes and clothing. Do not breath vapors or spray mist. Wash hands and face before breaks and immediately after handling the product. When using, do not smoke. Handle in accordance with good industrial hygiene and safety practice.
Protective Action Criteria (PAC)
7.6 [mg/m3]
83 [mg/m3]
500 [mg/m3]
TOXICITY
毒理信息
Ecotoxicity Values
LC50 Dreissena polymorpha (Zebra mussel; 5-8 mm and 20-25 mm shell length) >50 mg/L/48 hr; static, pH 7.7, alkalinity... 30 mg/L as CaCO3, total hardness 40 mg/L as CaCO3, temperature 17 °C
LC50 Ictalurus punctatus (Channel catfish) 1.9 mg/L/48 hr (95% confidence interval: 1.58-2.28 mg/L); static, pH 7.7, alkalinity... 30 mg/L as CaCO3, total hardness 40 mg/L as CaCO3, temperature 17 °C
LC50 Oncorhynchus mykiss (Rainbow trout) 640 ug/L/48 hr (95% confidence interval: 530-770 ug/L); static, pH 7.7, alkalinity... 30 mg/L as CaCO3, total hardness 40 mg/L as CaCO3, temperature 17 °C
LC50 Obliquaria reflexa (Three-horned wartyback) >50 mg/L/48 hr; static, pH 7.7, alkalinity... 30 mg/L as CaCO3, total hardness 40 mg/L as CaCO3, temperature 17 °C
For more Ecotoxicity Values (Complete) data for DIALLYLDIMETHYLAMMONIUM CHLORIDE (8 total), please visit the HSDB record page.
Ecotoxicity Excerpts
/AQUATIC SPECIES/ Groups of 10 or 20 fresh water Blue Gill Sunfish (Lepomis macrochirus) were exposed in a reconstituted medium at 64-69 °F for 96 hours. The pH was carefully monitored throughout the study. Concentrations of 0.0 (20 fish), 1.0 (10 fish), 10 (10 fish), 18 (10 fish), 24 (20 fish), 32 (20 fish), and 56.0 mg/L (10 fish) of test substance were used. Fish mortality was measured after 24, 48 and 96 hours. The only toxic sign observed was at 56 mg/L of diallyldimethylammonium chloride; some of the fish appeared slightly less active than the other fish in the study.
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Acute Exposure/ 0.5 mL of undiluted test material was applied under a one inch square surgical gauze patch to 2 intact areas of skin on each of 6 New Zealand White rabbits. The application sites were prepared by clipping the hair from the saddle areas of the rabbits. Each patch was held in place by 2 one inch strips of adhesive tape. After application of the patches, the trunk of each rabbit was wrapped with rubber dental damming which was secured with staples. The animals were secured in Newmann harnesses for 4 hours. After 4 hours, the patches were removed and any residual material was removed. The reactions were scored immediately after the removal of the patches (4-hr reading) and again at 24 and 48 hours after initial application. Following dorsal application, irritative effects noted at the 24-hr reading included very slight erythema at one intact and one abraded site. The Primary Irritation Index (PII) was found to be 0.09. Following ventral application, no irritative effects were noted at the 24-hr reading. However, at the 72-hr reading, very slight erythema was noted at one abraded site. No other irritative effects were noted at any time throughout the study. The Primary Irritation Index (PII) was found to be 0.04. Following patch application, no irritative effects were noted at any time throughout the study.
/LABORATORY ANIMALS: Acute Exposure/ 0.1 mL of the undiluted sample was applied to the right eye of each of 6 New Zealand White rabbits. The left eyes were untreated and served as controls. Examinations for gross signs of eye irritation were made at 24, 48 and 72 hours following application. ...Irritative effects noted at the 24-hr reading following application included slight to moderate conjunctival erythema and slight conjunctival discharge in 3 rabbits. At the 48-hr reading slight to moderate conjunctival erythema was noted in 3 rabbits. At the 72-hr reading slight conjunctival erythema was noted in 1 rabbit. No corneal opacity or iritis was noted. DADMAC was determined to be not irritating to eyes in this assay.
/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ Groups of 4 male and 4 female purebred beagle dogs, averaging 3 to 4 months old, were fed diets containing 50, 200, or 800 mg/kg/day of DADMAC monomer. Diets were adjusted to deliver specified doses of monomer in a 350 gram meal. The dogs were carefully observed for 13 weeks. Samples were taken for clinical chemistry and hematology at 45 days and at termination. All dogs were necropsied and histopathology performed. At 800 mg/kg/day, there was a decrease in body weight gain. Otherwise there were no treatment related effects in this study. ...The NOAEL in dogs was 200 mg/kg based on decreased body weight gain in the 800 mg/kg group.
/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ Groups of 15 male and 15 female rats of unspecified strain were fed diets containing 5, 50 or 500 mg/kg of DADMAC monomer. 5 animals per group were sacrificed at 4, 8 and 13 weeks for histopathology. In the high dose group, a significant decrease in body weight gain was observed. No significant treatment related histopathology was observed in this study. The NOAEL was determined to be 50 mg/kg/day based on body weight gain. A hexibarbitone sleeping time study was included in this study to assess drug metabolizing enzymes. There was no treatment related effect on hexabarbitone sleeping time. ...The NOAEL for this study is 50 mg/kg/day.
For more Non-Human Toxicity Excerpts (Complete) data for DIALLYLDIMETHYLAMMONIUM CHLORIDE (11 total), please visit the HSDB record page.
Antidote and Emergency Treatment
If product is inhaled, move to fresh air. In case of skin contact, rinse and wash contaminated clothing before re-use. Wash contaminated area immediately for at least 15 minutes. In case of persistent skin irritation, consult a physician. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes. Keep eye wide open while rinsing and lift upper and lower lids to ensure complete removal of chemical. In case of persistent eye irritation, consult a physician. If swallowed, do not induce vomiting. Rinse mouth (never give anything by mouth to an unconscious person). Call a physician immediately.
Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/
Non-Human Toxicity Values
LD50 Rat (Wistar) oral 3930 mg/kg
LD50 Rat (Sprague-Dawley) oral 2520 mg/kg
REGULATORY
法规信息
Regulatory Information
Chemical: 2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride
2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 17-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14691
2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
PHARMACOLOGY
药理信息
Absorption, Distribution and Excretion
Male albino rats were placed in metabolism cages. Following intubation with 14-C diallyldimethylammonium chloride (DADMAC), one animal per time point, urine and feces were collected at 24, 48 and 72 hours. Animals were treated with 656 mg/kg (24 hours); 1585 mg/kg (48 hours) or 1591 mg/kg (72 hours) of 14-C DADMAC (100 microcuries/mL: 100 microcuries/0.9 grams. purity unspecified). Carcasses were frozen and radioactivity determined later in blood, spleen, liver, kidneys, bone marrow, and three sections of gastrointestinal tract. Carcasses, after removal of skin and feet were homogenized and radioactivity determined. While this study has marked deficiencies, it demonstrates that DADMAC is poorly absorbed. No change in clinical signs was observed in the treated animals. There was a slight weight loss in the study. The primary route of excretion for 14-C derived from DADMAC monomer was feces. ...The tissue levels for monomer were very low at each time point and there was no accumulation in any organ. The highest concentration of any organ was liver at 24 hours which had 0.0034% of the administered radioactivity. DADMAC was poorly absorbed. Of the tissues studied, the liver was found to have the largest percent uptake. The principal route of excretion was via the feces followed by the urinary pathway with a very low amount being excreted via the expired air. The largest elimination was observed to occur during the first 24 hours.
USES
用途与制造
Uses
Used as monomer for synthesizing water soluble polymers and in the synthesis of coagulants and retention aids; [HSDB]
... Monomer for synthesizing water soluble polymers.
Chemical industry; used in synthesis of water soluble polymers, coagulants, retention aids.
U.S. Production
2023: 100,000,000 - <500,000,000 lb;2022: 100,000,000 - <500,000,000 lb;2021: 100,000,000 - <500,000,000 lb;2020: 100,000,000 - <500,000,000 lb
2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).
Industry Uses
Intermediate;Monomers
Methods of Manufacturing
... Obtained from the reaction between dimethylallylamine and allyl chloride.
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing;All Other Basic Organic Chemical Manufacturing
2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1): ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
当前筛选下没有反应记录。