N,N-ジエチルアセトアミド

N,N-Diethylacetamide

HCID 12703

基本情報

CAS
685-91-6
標準SMILES
CCN(CC)C(C)=O
InChIKey
AJFDBNQQDYLMJN-UHFFFAOYSA-N
分子式
C6H13NO
平均分子量
115.17 g/mol
単同位体質量
115.09971404

名称と識別子

優先名称
N,N-Diethylacetamide
IUPAC
N,N-diethylacetamide
現地名
N,N-ジエチルアセトアミド
英語名
Diethylacetamide
分子式
C6H13NO
分子量
115.17

名称と別名

N,N-DIETHYLACETAMIDE685-91-6Acetamide, N,N-diethyl-DTXSID9020459Acetic acid, amide, N,N-diethyl6YO81D7ST6NSC-101DTXCID10459RefChem:161180211-685-2DiethylacetamideN-Acetyldiethylamine
名称をさらに表示
N,N-ジエチルアセトアミドN-アセチルジエチルアミンN,N‐ジエチルアセトアミドCH3CON(C2H5)2ACETYL DIETHYLAMINEn,n-diethyl-acetamidN,N-Diethylethanamideacetamine,n,n-diethyl-
MFCD00009047N,N-diethyl-acetamideN,N-DiaethylacetamidN,N-Diaethylacetamid [German]HSDB 5513NSC 101Acetic acid diethylamideAcetamide,N,N-Diethyl-

データベース識別子

CAS
685-91-6
PubChem CID
12703
DTXSID
DTXSID9020459
ChEMBL
CHEMBL3184758
UNII
6YO81D7ST6
EC Number
211-685-2
Nikkaji
J33.415D

物性

構造計算による物性

XLogP
0.3
極性表面積
20.3 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
2
重原子数
8

実験および物理化学的性質

LogPlog Kow = 0.34
OdorFaint odor
Density0.9130 @ 17 °C
Color/FormColorless liquid
SolubilitySol in water, alcohol; sol in all proportions in ether, acetone, benzene
Flash Point170 °F

物理化学的性質

融点
20 °C · <20 °C
沸点
182 · 182-186 °C (lit.)
比重(密度)
0.925 g/mL · 0.925 g/mL at 25 °C (lit.)
蒸気圧
1.2 hPa · 1.2 hPa (25 °C)
屈折率
20 · n20/D 1.440(lit.)
闪点
159 °F · 159 °F

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 2 件

Chemical: Acetamide, N,N-diethyl-

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

Fire PotentialFlammable when exposed to heat or flame.
Hazards SummaryOral LD50 (rat) = 1500 mg/kg; [HSDB] An irritant; [MSDSonline] See Dimethyl acetamide.
TSCA Requirements · 1 件

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 ProductsWhen heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Hazard Classes and CategoriesAcute 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%)

安全と保護具

Fire Fighting ProceduresTo fight fire, use foam, mist, /carbon dioxide/, dry chemical.
Disposal Methods · 1 件

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.

毒性情報

InteractionsCMPDS INCLUDING N,N-DIETHYLACETAMIDE SHOWED NONSPECIFIC SPASMOLYTIC PROPERTIES AGAINST HISTAMINE-, CARBACHOL-, & BARIUM CHLORIDE-INDUCED SPASMS IN ISOLATED GUINEA PIG ILEUM.
Adverse EffectsNeurotoxin - 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 · 1 件

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 · 5 件

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 · 2 件

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 · 4 件

LD50 Rat oral 1500 mg/kg

LD50 Rat iv 1 g/kg

LD50 Mouse ip 1690 mg/kg

LD50 Dog iv 1 g/kg

法規制情報

Regulatory Information · 2 件

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 · 1 件

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.

安全データ

wgk
3
tsca
TSCA listed
rtecs
AB7000000
毒性
LD50 orally in Rabbit: 1500 mg/kg
hs_code
29241900
risk_code
20/21/22-36/37/38

化学と産業

薬理情報

Metabolism/MetabolitesIN 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.

用途と製造

General Manufacturing Information · 3 件

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.

応用分野

使用N,N-Diethylacetamide was used to investigate the spectroscopic properties ofN,N-diethyl-2-[(4-substituted)phenylsulfinyl] acetamides. It is commonly used as drug solvent.

一般的な説明N,N-Diethylacetamide is commonly used as drug solvent.

調製方法 · 1 件

純化方法Dissolve the amide in cyclohexane, shake with anhydrous BaO and then filter. The procedure is repeated three times, and the cyclohexane is distilled off at atmospheric pressure. The crude amide is also fractionally distilled three times from anhydrous BaO. [Beilstein 4 III 349.]

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関連反応

28 件

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