CAS 3468-22-2 [(1H-indol-4-yl)methyl](methyl)amine (HCID 12513770)

기본 정보

CAS: 3468-22-2
표준 SMILES: CNCc1cccc2[nH]ccc12
InChIKey: DPXOSZVHVILMJI-UHFFFAOYSA-N
분자식: C10H12N2
평균 분자량: 160.22 g/mol
단동위원소 질량: 160.10004838

이름 및 식별자

우선 이름: [(1H-indol-4-yl)methyl](methyl)amine
IUPAC: 1-(1H-indol-4-yl)-N-methylmethanamine
현지명: 1H-인돌-4-에타나민,N-메틸-
영어명: 1H-Indole-4-ethanamine, N-methyl-
분자식: C11H14N2
분자량: 0

이름 및 동의어

[(1H-indol-4-yl)methyl](methyl)amine((1H-indol-4-yl)methyl)(methyl)amineRefChem:389527990-312-13468-22-21-(1H-indol-4-yl)-N-methylmethanamine(1H-indol-4-ylmethyl)(methyl)amine94980-84-44-methylaminomethylindoleSCHEMBL1254542DTXSID40500973DPXOSZVHVILMJI-UHFFFAOYSA-N

이름 더 보기

1H-인돌-4-에타나민,N-메틸-AKOS VGU3672N-METHYL-1H-INDOLE-4-ETHANAMINE1H-Indole-4-ethanamine, N-methyl-(2-indol-4-yl-ethyl)-methyl-amine

DAA46822(1H-indol-4-ylmethyl)-methyl-amineBBL037250MFCD09455186STL495627(1H-indol-4-yl)-N-methylmethanamineAKOS004119793VS-14022

데이터베이스 식별자

CAS: 3468-22-2、94980-84-4
PubChem CID: 12513770
DTXSID: DTXSID40500973
EC Number: 990-312-1

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 27.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 147

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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.