기본 정보
- 표준 SMILES
CCN(C=O)CC- InChIKey
SUAKHGWARZSWIH-UHFFFAOYSA-N- 분자식
- C5H11NO
- 평균 분자량
- 101.15 g/mol
- 단동위원소 질량
- 101.08406397
개요
N,N-diethyl-Formamide is a carboxamide.
이름 및 식별자
- 우선 이름
- Diethylformamide
- IUPAC
- N,N-diethylformamide
- 현지명
- 엔,엔-디메틸포름알데히드
- 영어명
- N,N-Diethylformamide
- 분자식
- C5H11NO
- 분자량
- 101.15
이름 및 동의어
N,N-DIETHYLFORMAMIDE617-84-5DiethylformamideFormamide, N,N-diethyl-N-FormyldiethylamineDiethyl formamideDiethylamid kyseliny mravenciDTXSID3020463D4BLP8BN9HNSC-6242DTXCID50463RefChem:161192
이름 더 보기
N,N-다이에틸폼아마이드엔,엔-디메틸포름알데히드N,N-DiethyLn,n-diethyl-formamidJACS-617-84-5DiethylforamideApixaban Impurity 174
210-533-2FormyldiethylamineMFCD00003287N,N-diethyl-formamideN,N-diethylcarboxamideNSC 6242EINECS 210-533-2Diethylamid kyseliny mravenci [Czech]
데이터베이스 식별자
- CAS
617-84-5- PubChem CID
- 12051
- DTXSID
DTXSID3020463- ChEMBL
CHEMBL3186600- ChEBI
CHEBI:183296- UNII
- D4BLP8BN9H
- EC Number
- 210-533-2
- Nikkaji
- J15.779A
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 20.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 50
실험 및 물리화학적 성질
SolventsSolvents -> Amides (<C10)
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless liquid; [MSDSonline]
물리화학적 성질
- 녹는점
- 176 · 176-177°C
- 끓는 점
- 176 · 176-177 °C (lit.)
- 밀도
- 0.908 g/mL · 0.908 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.434(lit.)
- 인화점
- 141 °F · 141 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 아세톤, 벤젠, 알코올, 에테르와 섞입니다.
- 산도 계수 (pKa)
- -0.44 · -0.44±0.70(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~담황색 투명
- BRN
- 1209392 · 1209392
- Henry's Law Constant
- 1.3 · 1.3×102 mol/(m3Pa) at 25℃, Yaffe et al. (2003)
- Dielectric constant
- 29.02 · 29.02
- InChI
- 1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3
- InChIKey
- SUAKHGWARZSWIH-UHFFFAOYSA-N
- SMILES
- CCN(CC)C=O
- EPA
- Formamide, N,N-diethyl- (617-84-5)
화학적 성질
clear colorless to pale yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (81.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Formamide, N,N-diethyl-
Diethyl formamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline] See Dimethylformamide.
Hazard Classes and CategoriesFlam. Liq. 3 (81.1%)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
RAIS Toxicity Values
0.001
PPRTV Current
0.001
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
Diethylformamide
1 x 10^-3 mg/kg-day
1 x 10^-3 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2008
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
7.80e+01
1.20e+03
2.00e+01
5.00e+00
4.10e-03
1.00e-03
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
2.30e+02
3.50e+03
6.00e+01
5.00e+00
1.00e-03
Volatile
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- LQ1925000
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29241990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- 2015-3-6447
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
화학 및 산업
약리 정보
Metabolism/MetabolitesN,n-diethylformamide has known human metabolites that include N-Ethyl-N-(1-hydroxyethyl)formamide.
용도 및 제조
UsesIndustrial solvent claimed to have HIV protease inhibitory action. [ChemIDplus]
General Manufacturing InformationFormamide, N,N-diethyl-: ACTIVE
응용 분야
용도N,N-Diethylformamide is used in the synthesis of metal-organic frameworks and Diethyltrifluoromethylamine. It is also used as solvent in the preparation of porous cubic-shaped zinc oxide particles. It is involved in the preparation of quinazoline-2,4(1H,3H)-dione by reacting with o-aminonitrile.
일반 설명N,N-Diethylformamide undergoes condensation with aromatic o-aminonitriles in the presence of ZnCl2 in sealed reactor to yield quinazoline-2,4(1H,3H)-dione.
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추가 설명
정의ChEBI: N,N-diethyl-Formamide is a carboxamide.
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