기본 정보
- CAS
119-95-9- 표준 SMILES
Cc1cccc(N(CCO)CCC#N)c1- InChIKey
OSNNWHRYDJYFJL-UHFFFAOYSA-N- 분자식
- C12H16N2O
- 평균 분자량
- 204.27 g/mol
- 단동위원소 질량
- 204.12626313
이름 및 식별자
- 우선 이름
- Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-
- IUPAC
- 3-[N-(2-hydroxyethyl)-3-methylanilino]propanenitrile
- 영어명
- N-(2-CYANOETHYL)-N-(2-HYDROXYETHYL)-M-TOLUIDINE
- 분자식
- C12H16N2O
- 분자량
- 204.27
이름 및 동의어
Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-3-(N-(2-Hydroxyethyl)-m-toluidino)propionitrileN-(2-Hydroxyethyl)-N-(2-cyanoethyl)-m-toluidineEINECS 204-360-1NSC 329205Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-DTXSID80595023-[n-(2-hydroxyethyl)-m-toluidino]propiononitrile3-(N-(2-Hydroxyethyl)-m-toluidino)propiononitrile3-[N-(2-Hydroxyethyl)-m-toluidino]propionitrilePropionitrile, 3-(N-(2-hydroxyethyl)-m-toluidino)-Propionitrile, 3-[N-(2-hydroxyethyl)-m-toluidino]-
이름 더 보기
N-(2-CYANOETHYL)-N-(N-Cyano-N-hydroxy-m-toluidineN-CYANOETHYL-N-HYDROXYETHYL-M-TOLUIDINEN-CYANOETHYL-N-HYDROXYETHYL-3-TOLUIDINEN-hydroxyethyl-n-cyanoethyl-m-toluidine3-((2-HYDROXYETHYL)(3-METHYLPHENYL)AMINO3-((2-HYDROXYETHYL)(3-METHYLPHENYL)AMIN&3-[N-(2-Hydroxyethyl)-m-toluidino]propion3-methyl-N-hydroxyethyl-N-cyanoethylaniline3-Methyl-N-hydfoxyethyl-N-cyanoethylaniline
RefChem:869035DTXCID3033480Propionitrile, 3-(N-(2-hydroxyethyl)-m-toluidino)-(8CI)204-360-1119-95-93-((2-Hydroxyethyl)(m-tolyl)amino)propanenitrileN-(2-Cyanoethyl)-N-(2-hydroxyethyl)-m-toluidine3-[(2-hydroxyethyl)(3-methylphenyl)amino]propanenitrile
데이터베이스 식별자
- CAS
119-95-9- PubChem CID
- 67077
- DTXSID
DTXSID8059502- UNII
- YYR9XC72FT
- EC Number
- 204-360-1
- Nikkaji
- J37.704J
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 47.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 221
물리화학적 성질
- 끓는 점
- 332 °C · 332 °C(lit.)
- 밀도
- 1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.564(lit.)
- 인화점
- 110 °C · 110 °C
- 산도 계수 (pKa)
- 14.57 · 14.57±0.10(Predicted)
- InChI
- InChI=1S/C12H16N2O/c1-11-4-2-5-12(10-11)14(8-9-15)7-3-6-13/h2,4-5,10,15H,3,7-9H2,1H3
- InChIKey
- OSNNWHRYDJYFJL-UHFFFAOYSA-N
- SMILES
- C(#N)CCN(CCO)C1=CC=CC(C)=C1
- EPA
- 3 · Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]- (119-95-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-09056
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-: INACTIVE
공급사72 곳
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
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