uspto-grants-1997_06 · 10.6084/m9.figshare.5104873.v1 · US05635391
查看IDENTITY
结构与身份
- 标准SMILES
- NC(=O)CCCCC(N)=O
- InChIKey
- GVNWZKBFMFUVNX-UHFFFAOYSA-N
- 分子式
- C6H12N2O2
- 平均分子量
- 144.17 g/mol
- 单同位素质量
- 144.08987763
COMPUTED
结构计算性质
- XLogP
- -1.2
- 极性表面积
- 86.2 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 5
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 118
PROPERTIES
实验与物化性质
Color/Form
PLATES
Solubility
Slightly soluble (NTP, 1992)
SLIGHTLY SOL IN WATER, ETHER; VERY SOL IN ALC
Melting Point
428 °F (NTP, 1992)
220 °C
Physical Description
Adipamide is a colorless powder. (NTP, 1992)
Colorless solid; [CAMEO] mp = 228 deg C and practically insoluble in cold water; [Ullmann] White solid; [Alfa Aesar MSDS]
GHS
GHS分类
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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: Hexanediamide
Hexanediamide: 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.
Fire Hazards
The flash point of this chemical has not been determined, but it is probably combustible. (NTP, 1992)
Hazards Summary
No evidence of carcinogenicity in rats or mice (oral administration); [HSDB] An eye irritant; [Alfa Aesar MSDS]
Reactive Group
Amides and Imides
Reactivity Profile
ADIPAMIDE forms flammable gases with strong reducing agents. A very weak base. Mixing with dehydrating agents such as P2O5 or SOCl2 generates adiponitrile. Combustion generates toxic mixed oxides of nitrogen (NOx).
Air and Water Reactions
Slightly soluble in water (NTP, 1992).
Hazard Classes and Categories
Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.7%)
SAFETY
安全与防护
Fire Fighting
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. You should then dampen the solid spill material with methanol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with methanol to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash contaminated surfaces with methanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
TOXICITY
毒理信息
Non-Human Toxicity Excerpts
ADIPAMIDE WAS CONSIDERED NONCARCINOGENIC IN RATS & MICE TREATED ORALLY.
REGULATORY
法规信息
Regulatory Information
Chemical: Hexanediamide
Hexanediamide: 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
Mechanism of Action
POLYMETHYLENE CHAINS TERMINALLY SUBSTITUTED WITH VARIOUS COMBINATIONS OF CARBOXYLATE, AMINO, AMIDE, OR SULFOXIDE GROUPS WERE TESTED FOR INDUCING ERYTHROID DIFFERENTIATION IN MURINE ERYTHROLEUKEMIA CELLS. ALL POTENT INDUCING AGENTS POSSESSED BOTH A HYDROPHILIC & HYDROPHOBIC PORTION OF THE MOLECULE, AS WELL AS A PLANER PORTION. THE POLYMETHYLENE CHAIN JOINING FUNCTIONAL GROUPS MUST BE FLEXIBLE & MUST BE 5-6 CARBON ATOMS IN LENGTH TO ACHIEVE MAXIMAL ACTIVITY.
VARIOUS N-SUBSTITUTED POLYMETHYLENE DIAMIDES WERE TESTED FOR THEIR POTENCY TO INDUCE ERYTHROID DIFFERENTIATION IN MURINE ERYTHROLEUKEMIA CELLS. POLYMETHYLENE DIAMIDES HAD NO EFFECT ON THE INDUCTION OF HEMOGLOBIN SYNTHESIS. THE N-ALKYLATED AMIDE GROUP APPEARS TO BE REQUIRED FOR INDUCTION OF DIFFERENTIATION IN MURINE ERYTHROLEUKEMIA CELLS.
USES
用途与制造
Uses
A diamide derivative of adipic acid; [Ullmann] Used for organic synthesis and as chemical intermediate; [NTP]
General Manufacturing Information
Hexanediamide: ACTIVE
ALIASES
名称与别名
REACTIONS