기본 정보
- 표준 SMILES
CCC(=O)N(CC)CC- InChIKey
YKOQQFDCCBKROY-UHFFFAOYSA-N- 분자식
- C7H15NO
- 평균 분자량
- 129.2 g/mol
- 단동위원소 질량
- 129.1153641
이름 및 식별자
- 우선 이름
- N,N-Diethylpropionamide
- IUPAC
- N,N-diethylpropanamide
- 현지명
- 디에틸프로피온아미드(엔,엔-)
- 영어명
- N,N-Diethylpropionamide
- 분자식
- C7H15NO
- 분자량
- 129.2
이름 및 동의어
N,N-Diethylpropionamide1114-51-8N,N-DiethylpropanamideDiethylpropionamidePropanamide, N,N-diethyl-Propionamide, N,N-diethyl-Diethylamide of propionic acidJFK8231N9SBRN 1747650NSC 105UNII-JFK8231N9SDTXSID1061493
이름 더 보기
디에틸프로피온아미드(엔,엔-)N,N-다이에틸프로피온아마이드N,N-디에틸프로피온아미드N,N-Diethylpropiomiden,n-diethyl-propanamidN,N-diethylpropylamiden,n-diethyl-propionamidN,N-Diethylpropionamide >
AI3-02833NSC-1054-04-00-00353 (Beilstein Handbook Reference)RefChem:161202DTXCID8033225YKOQQFDCCBKROY-UHFFFAOYSA-NMFCD00009302n,n-diethyl-propionamide
데이터베이스 식별자
- CAS
1114-51-8- PubChem CID
- 66191
- DTXSID
DTXSID1061493- UNII
- JFK8231N9S
- EC Number
- 625-387-9
- Nikkaji
- J150.142I
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 20.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 86.9
실험 및 물리화학적 성질
SpringerMaterials PropertiesDensity
물리화학적 성질
- 끓는 점
- 77 °C/12 · 77 °C/12 mmHg (lit.)
- 밀도
- 0.897 g/mL · 0.897 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.442(lit.)
- 인화점
- 163 °F · 163 °F
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- -0.41 · -0.41±0.70(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- InChI
- 1S/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3
- InChIKey
- YKOQQFDCCBKROY-UHFFFAOYSA-N
- SMILES
- CCN(CC)C(=O)CC
- NIST
- N,N-Diethylpropionamide(1114-51-8)
- EPA
- Propanamide, N,N-diethyl- (1114-51-8)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UE3567500
- 독성
- mouse,LD50,intraperitoneal,770mg/kg (770mg/kg),VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION,Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 18, Pg. 245, 1966.
- HS 번호
- 2924297099
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanamide, N,N-diethyl-: ACTIVE
응용 분야
일반 설명Gas phase ion/molecule reaction between dialkoxyborinium cation and N,N-diethylpropionamide was studied.
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