N-시아노에틸-하이드록시에틸아닐린

Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-

HCID 113349CAS 92-64-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#CCCN(CCO)c1ccccc1
InChIKey: WZJJWQVBLSPALW-UHFFFAOYSA-N
분자식: C11H14N2O
평균 분자량: 190.24 g/mol
단동위원소 질량: 190.11061307

이름 및 식별자

우선 이름: Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-
IUPAC: 3-[N-(2-hydroxyethyl)anilino]propanenitrile
현지명: N-시아노에틸-하이드록시에틸아닐린
영어명: N-Cyanoethyl-hydroxyethyl aniline
분자식: C11H14N2O
분자량: 190.25

이름 및 동의어

92-64-8Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-Emery 5724Aniline, N-cyanoethyl-N-hydroxyethyl-3-(N-(2-Hydroxyethyl)anilino)propiononitrile3-[(2-HYDROXYETHYL)PHENYLAMINO]PROPANENITRILEEINECS 202-174-53-((2-Hydroxyethyl)phenylamino)propanenitrileN-2-Hydroxyethyl-N-2-kyanethylanilinN-Hydroxyethyl-N-beta-cyanoethylanilinePropionitrile, 3-(N-(2-hydroxyethyl)anilino)-BRN 2369849

이름 더 보기

N-시아노에틸-하이드록시에틸아닐린emery5724N-Cyanoethyl-hydroxyN-Cyano-N-hydroxyanilineN-Cyanoethyl-hydroxyethyl anili3-(2-ethoxyanilino)propionitrile3-(2-ethoxyanilino)propanenitrilen-cyanoethyl-hydroxyethyl anilineN-hydroxyethyl-N-cyanoethylanilineN-cynoethyl,N-Hydroxyethyl aniline

Propionitrile, 3-((2-hydroxyethyl)phenylamino)-N-beta-Cyanoethyl-N-beta-hydroxyethylanilineN-2-Hydroxyethyl-N-2-kyanethylanilin [Czech]Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-N-beta-Hydroxyethyl-N-beta-kyanethylanilin [Czech]N-beta-Hydroxyethyl-N-beta-kyanethylanilinRefChem:869039202-174-5

데이터베이스 식별자

CAS: 92-64-8
PubChem CID: 113349
DTXSID: DTXSID6052617
UNII: UD2CS7WY8M
EC Number: 202-174-5
Nikkaji: J90.400G

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 47.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 191

실험 및 물리화학적 성질

Collision Cross Section142.8 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6052617]

물리화학적 성질

녹는점: 68 °C · 68 °C
끓는 점: 315 °C · 315 °C(lit.)
밀도: 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.57(lit.)
인화점: 107 · 107-110°C/15mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.51 · 14.51±0.10(Predicted)
색상: Colorless to Yellow to Green
수용성: 물과 섞이거나 혼합하기 어렵지 않습니다.
BRN: 2369849 · 2369849
InChI: InChI=1S/C11H14N2O/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h1-3,5-6,14H,4,8-10H2
InChIKey: WZJJWQVBLSPALW-UHFFFAOYSA-N
SMILES: N(C1C=CC=CC=1)(CCO)CCC#N
EPA: 3 · Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]- (92-64-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: UG2905000
HS 번호: 29269090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-20540

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanenitrile, 3-[(2-hydroxyethyl)phenylamino]-: ACTIVE

응용 분야

용도N-(2-Cyanoethyl)-N-(2-hydroxyethyl)aniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

상·하류 제품 정보

하류 제품

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

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