2-(1H-Benzimidazol-2-yl)ethan-1-amine

HCID 415158CAS 29518-68-1

기본 정보

표준 SMILES: NCCc1nc2ccccc2[nH]1
InChIKey: GJEPMYMUORZPMP-UHFFFAOYSA-N
분자식: C9H11N3
평균 분자량: 161.2 g/mol
단동위원소 질량: 161.09529735

이름 및 식별자

우선 이름: 2-(1H-Benzimidazol-2-yl)ethan-1-amine
IUPAC: 2-(1H-benzimidazol-2-yl)ethanamine
영어명: BENZYLTRIPHENYLPHOSPHONIUM BROMIDE POL&
분자식: C9H11N3
분자량: 161.2

이름 및 동의어

DTXSID209520172-(1H-Benzimidazol-2-yl)ethan-1-amineRefChem:1060690DTXCID80138012029518-68-12-(1H-Benzo[d]imidazol-2-yl)ethanamine2-(1H-Benzimidazol-2-yl)ethanamine1H-Benzimidazole-2-ethanamine2-(1H-Benzoimidazol-2-yl)-ethylamine2-(1H-Benzoimidazol-2-yl)ethylamine2-(1H-2-Benzoimidazolyl)-ethylamine2-(1H-Benzimidazol-2-yl)ethylamine

이름 더 보기

1H-Benzimidazole-ethanamine2-(2-Aminoethyl)benzimidazole2-(Aminoethyl)-1H-benzimidazole1H-Benzimidazole-ethanamine diHCl1H-BENZIMIDAZOLE-ETHANAMINE . 2HCL1H-Benzimidazole-2-ethanamine(9CI)2-(1H-BENZO[D]IMIDAZOLE-2-YL)ETHAN-1-AMINE

2-(1H-1,3-BENZODIAZOL-2-YL)ETHAN-1-AMINEMFCD004627452-benzimidazol-2-ylethylamine2-(1H-benzo[d]imidazol-2-yl)ethan-1-amineBENZYLTRIPHENYLPHOSPHONIUM BROMIDE POL&NSC67437F1399-0004Cambridge id 5163526

데이터베이스 식별자

CAS: 29518-68-1、4499-07-4
PubChem CID: 415158
DTXSID: DTXSID20952017
ChEMBL: CHEMBL4580273
EC Number: 625-809-1
Nikkaji: J703.379F

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 160 ℃ · 160℃
끓는 점: 400 · 400.0±25.0 °C(Predicted)
밀도: 1.225 · 1.225
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 11.82 · 11.82±0.10(Predicted)
InChI: 1S/C9H11N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2,(H,11,12)
InChIKey: GJEPMYMUORZPMP-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.6%): 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.