기본 정보
- 표준 SMILES
CCN(CC)C(=O)Cc1ccccc1- InChIKey
UXDAWVUDZLBBAM-UHFFFAOYSA-N- 분자식
- C12H17NO
- 평균 분자량
- 191.27 g/mol
- 단동위원소 질량
- 191.13101416
개요
N,N-Diethylbenzeneacetamide is a member of acetamides.
이름 및 식별자
- 우선 이름
- N,N-Diethyl-2-phenylacetamide
- IUPAC
- N,N-diethyl-2-phenylacetamide
- 현지명
- N,N-디에틸-2-페닐아세트아미드
- 영어명
- N,N-Diethyl-2-phenylacetamide
- 분자식
- C12H17NO
- 분자량
- 191.27
이름 및 동의어
N,N-Diethyl-2-phenylacetamide2431-96-1N,N-DiethylphenylacetamideN,N-Diethylbenzeneacetamidediethyl phenyl acetamideTTI4PYU0SHDTXSID00179048NSC-8245RefChem:822336DTXCID30101539219-400-3DEPA
이름 더 보기
N,N-디에틸-2-페닐아세트아미드n,n-diethyl-benzeneacetamidn,n-diethyl-2-phenyl-acetamidN,N-diethyl-2-phenyl-ethanamide
N,N-Diethyl phenylacetamidePhenyl-N,N-diethylacetamideBenzeneacetamide, N,N-diethyl-MFCD00192031N,N-diethyl-2-phenyl-acetamideN,N-Diethyl-BenzeneacetamideCCRIS 3350UNII-TTI4PYU0SH
데이터베이스 식별자
- CAS
2431-96-1- PubChem CID
- 17076
- DTXSID
DTXSID00179048- ChEMBL
CHEMBL1887332- ChEBI
CHEBI:195905- UNII
- TTI4PYU0SH
- EC Number
- 219-400-3
- Nikkaji
- J80.484C
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 20.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 169
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
LogP
2.40
2.4
Solubility>28.7 [ug/mL] (The mean of the results at pH 7.4)
Melting Point86 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 84 · 84-86 °C
- 끓는 점
- 169 · 169-171 °C18 mm Hg(lit.)
- 밀도
- 1.004 g/mL · 1.004 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.522(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- Chloroform (Slightly), DMSO (Slightly),Methanol (Slightly)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- -0.44 · -0.44±0.70(Predicted)
- 색상
- 무색의
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P316, P317, P320, P321, P330, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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
- rtecs
- AB7410000
- 독성
- LD50 in guinea pigs, rats, rabbits, mice (g/kg): 7, 3-4, 3.5, ~2 dermally (Rao, 1991)
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances causing insects to turn away from them or reject them as food.
Cellular LocationsCytoplasm
응용 분야
용도Insect repellent.
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