2-(5-Chloro-1-methyl-1H-indol-3-yl)-ethylamine

HCID 6487610

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 682802-84-2
표준 SMILES: Cn1cc(CCN)c2cc(Cl)ccc21
InChIKey: UUCUKWNPBAJYFA-UHFFFAOYSA-N
분자식: C11H13ClN2
평균 분자량: 208.69 g/mol

이름 및 식별자

우선 이름: 2-(5-Chloro-1-methyl-1H-indol-3-yl)-ethylamine
IUPAC: 2-(5-chloro-1-methylindol-3-yl)ethanamine

이름 및 동의어

682802-84-22-(5-Chloro-1-methyl-1H-indol-3-yl)-ethylamineMFCD026839232-(5-Chloro-1-methyl-1H-indol-3-yl)ethylamine2-(5-chloro-1-methyl-1H-indol-3-yl)ethan-1-amine2-(5-chloro-1-methylindol-3-yl)ethanamine2-(5-chloro-1-methyl-1H-indol-3-yl)ethanamineSCHEMBL379053UUCUKWNPBAJYFA-UHFFFAOYSA-NAKOS0003025002-(5-chloro-1-methylindol-3-yl)ethylamineST50401714

이름 더 보기

2-(5-chloro-1-methyl-indol-3-yl)ethanamineG84573

데이터베이스 식별자

CAS: 682802-84-2
PubChem CID: 6487610
EC Number: 106-731-2

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 31 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 198

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.