CAS 21103-30-0 2-(4-(3-Chlorophenyl)piperazin-1-yl)ethan-1-amine (HCID 12726736)

기본 정보

CAS: 21103-30-0
표준 SMILES: NCCN1CCN(c2cccc(Cl)c2)CC1
InChIKey: WIHFHFPHWYBZNU-UHFFFAOYSA-N
분자식: C12H18ClN3
평균 분자량: 239.74 g/mol

이름 및 식별자

우선 이름: 2-(4-(3-Chlorophenyl)piperazin-1-yl)ethan-1-amine
IUPAC: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethanamine

이름 및 동의어

21103-30-02-[4-(3-chlorophenyl)piperazin-1-yl]ethan-1-amine2-(4-(3-Chlorophenyl)piperazin-1-yl)ethan-1-amineRefChem:456312831-546-52-[4-(3-chlorophenyl)piperazin-1-yl]ethanamine1-Piperazineethanamine, 4-(3-chlorophenyl)-2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethylamine{2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl}amineMFCD09723209SCHEMBL4255352WIHFHFPHWYBZNU-UHFFFAOYSA-N

이름 더 보기

ALBB-021082SBB079263AKOS000189043[4-(m-chlorophenyl)piperazino]ethylamine[4-(m-chlorophenyl)piperazinyl]ethylamineAS-547654-(3-chlorophenyl)piperazin-1-ylethylamine2-[4-(3-chlorophenyl)piperazinyl]ethylamine

데이터베이스 식별자

CAS: 21103-30-0
PubChem CID: 12726736
EC Number: 831-546-5

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 32.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 204

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.