结构:CCN(CC)C(C)=O
HCID12703

N,N-Diethylacetamide

C6H13NO115.17 g/molCAS 685-91-6

IDENTITY

结构与身份

标准 SMILES
CCN(CC)C(C)=O
InChIKey
AJFDBNQQDYLMJN-UHFFFAOYSA-N
分子式
C6H13NO
平均分子量
115.17 g/mol
单同位素质量
115.09971404

COMPUTED

结构计算性质

已同步
XLogP
0.3
极性表面积
20.3 Ų
氢键供体
0
氢键受体
1
可旋转键
2
重原子
8
形式电荷
0
复杂度
76

PROPERTIES

实验与物化性质

来源:PubChem
LogP

log Kow = 0.34

Odor

Faint odor

Density

0.9130 @ 17 °C

Color/Form

Colorless liquid

Solubility

Sol in water, alcohol; sol in all proportions in ether, acetone, benzene

Flash Point

170 °F

Boiling Point

185.5 °C

Decomposition

When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

Melting Point

LESS THAN 20 °C

Vapor Pressure

0.89 [mmHg]

2 MM HG @ 35 °C

Refractive Index

Index of refraction: 1.4374 @ 17.4 °C/4 °C

Physical Description

Colorless liquid; [HSDB]

GHS

GHS 分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (87%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (87%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.;There are 5 notifications provided by 45 of 46 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

来源:PubChem
Regulatory Information

Chemical: Acetamide, N,N-diethyl-

N,N-Diethylacetamide: Does not have an individual approval but may be used under an appropriate group standard

Fire Potential

Flammable when exposed to heat or flame.

Hazards Summary

Oral LD50 (rat) = 1500 mg/kg; [HSDB] An irritant; [MSDSonline] See Dimethyl acetamide.

TSCA Requirements

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. N,N-Diethylacetamide is included on this list.

Toxic Combustion Products

When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

Hazard Classes and Categories

Acute Tox. 4 (97.8%);Acute Tox. 4 (87%);Skin Irrit. 2 (97.8%);Eye Irrit. 2 (97.8%);Acute Tox. 4 (87%);STOT SE 3 (87%)

SAFETY

安全与防护

来源:PubChem
Fire Fighting Procedures

To fight fire, use foam, mist, /carbon dioxide/, dry chemical.

Disposal Methods

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

TOXICITY

毒理信息

来源:PubChem
Interactions

CMPDS INCLUDING N,N-DIETHYLACETAMIDE SHOWED NONSPECIFIC SPASMOLYTIC PROPERTIES AGAINST HISTAMINE-, CARBACHOL-, & BARIUM CHLORIDE-INDUCED SPASMS IN ISOLATED GUINEA PIG ILEUM.

Adverse Effects

Neurotoxin - Acute solvent syndrome;Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Human Toxicity Excerpts

DIMETHYL ACETAMIDE HAS A RELATIVELY MODERATE HEPATOTOXIC ACTION IN OCCUPATIONALLY EXPOSED WORKERS. DUE TO SCANT KNOWLEDGE OF DIMETHYL ACETAMIDE TOXICITY, DATA RELATIVE TO SOME CMPDS WHICH PRESENT STRUCTURES & ACTION ANALOGUES TO DIMETHYL ACETAMIDE & WHOSE TOXICITY IS BETTER KNOWN ARE REPORTED AS AN APPENDIX.

Non-Human Toxicity Excerpts

THE CARCINOGENIC ACTIVITY OF DIETHYLACETAMIDE WAS STUDIED BECAUSE OF ITS ABILITY TO DENATURE PROTEINS & STRUCTURAL RESEMBLANCE TO NITROSAMINE DERIVATIVES. INGESTED, IT PRODUCED A TRANSITIONAL CELL CARCINOMA OF RAT KIDNEY & SEVERE RENAL DAMAGE. EVIDENCE DOES NOT SUPPORT THE VIEW THAT CYCLIC NITROSAMINES EXERT THEIR CARCINOGENIC ACTION VIA METAB TO DIAZOALKANES.

N,N-DIETHYLACETAMIDE 600 MG/KG GIVEN TO PREGNANT RATS ON THE 13TH OR 14TH DAYS OF GESTATION PRODUCED DIAPLACENTAL TERATOGENIC EFFECTS. THIS WAS 40% OF THE LD50 DOSE.

CMPDS INCLUDING N,N-DIETHYLACETAMIDE SHOWED NONSPECIFIC SPASMOLYTIC PROPERTIES AGAINST HISTAMINE-, CARBACHOL-, & BARIUM CHLORIDE-INDUCED SPASMS IN ISOLATED GUINEA PIG ILEUM, & AT LOW IV DOSES AFFECTED THE HEART RATE & BLOOD PRESSURE IN RATS, CATS, & DOGS.

IN MOUSE LIVER HOMOGENATES, N,N-DIETHYLACETAMIDE HAD NO EFFECT ON A SERIES OF LIVER MIXED-FUNCTION OXIDASE & CYTOCHROME C REDUCTASE ACTIVITIES, BUT IN VIVO (150 MG/KG, IP) IT INHIBITED THESE ACTIVITIES WITHIN 45 MIN & INCREASED HEXOBARBITAL SLEEPING TIME.

INJECTIONS OF N,N-DIETHYLACETAMIDE INDUCED SOME JUMPS OF CONVULSIONS IN MICE. IT INDUCED TESTICULAR ATROPHY IN RATS. RATS GIVEN 1/20 LD50 DOSES DAILY FOR 6 WK DID NOT EXHIBIT TOXIC EFFECTS BUT DID EXHIBIT DECREASED PONDERAL GROWTH.

Antidote and Emergency Treatment

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. 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 ... . 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. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/

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. Early intubation, at the first sign of upper airway obstruction, may be necessary. 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. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic acids and related compounds/

Non-Human Toxicity Values

LD50 Rat oral 1500 mg/kg

LD50 Rat iv 1 g/kg

LD50 Mouse ip 1690 mg/kg

LD50 Dog iv 1 g/kg

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Acetamide, N,N-diethyl-

N,N-Diethylacetamide: Does not have an individual approval but may be used under an appropriate group standard

TSCA Requirements

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. N,N-Diethylacetamide is included on this list.

PHARMACOLOGY

药理信息

来源:PubChem
Metabolism/Metabolites

IN MICE, THE DISCREPANCY BETWEEN IN VITRO & IN VIVO LIVER ENZYME INHIBITION ACTIVITY MAY BE DUE TO OXIDATIVE N-DEALKYLATION OF N,N-DIETHYLACETAMIDE OCCURRING IN VIVO, FACILITATING THE INHIBITION.

USES

用途与制造

来源:PubChem
General Manufacturing Information

Acetamide, N,N-diethyl-: ACTIVE

DIETHYLACETAMIDE- AN EXAMPLE OF DRUG ABUSE.

SOLVENTS WERE TESTED IN MICE FOR THEIR TOXICITY, CENTRAL NERVOUS SYSTEM PROFILE, AND ACTIVITY IN THE INCLINED SCREEN AND BALANCE ROD TESTS AFTER INTRAPERITONEAL ADMINISTRATION, PLUS THEIR INFLUENCE ON THE HEXABARBITONE SLEEPING TIME AND MUSCLE RELAXANT PROPERTIES ON THE ROTA-ROD AFTER ORAL ADMINISTRATION. N,N-DIETHYLACETAMIDE WAS RECOMMENDED NOT TO EXCEED A CONCENTRATION OF 0.3 IN DRUG SOLUTIONS AS SOLVENT FOR SCREENING PURPOSES.

ALIASES

名称与别名

59
N,N-DIETHYLACETAMIDE685-91-6Acetamide, N,N-diethyl-DTXSID9020459Acetic acid, amide, N,N-diethyl6YO81D7ST6NSC-101DTXCID10459RefChem:161180211-685-2DiethylacetamideN-AcetyldiethylamineMFCD00009047N,N-diethyl-acetamideN,N-DiaethylacetamidN,N-Diaethylacetamid [German]HSDB 5513NSC 101Acetic acid diethylamideAcetamide,N,N-Diethyl-

REACTIONS

参与反应

20
HRID203312

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 203312 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID303189

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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HRID 303189 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID304585

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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HRID 304585 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID672808

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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HRID 672808 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID799160

Test data from https://doi.org/10.1039/C8SC04228D

作为生成物、反应物
HRID 799160 方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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