(1H-INDOL-3-YL)메타나민

1H-Indol-3-Ylmethanamine

HCID 472107CAS 22259-53-6

기본 정보

표준 SMILES: NCc1c[nH]c2ccccc12
InChIKey: JXYGLMATGAAIBU-UHFFFAOYSA-N
분자식: C9H10N2
평균 분자량: 146.19 g/mol
단동위원소 질량: 146.08439832

개요

Indol-3-ylmethylamine is an aralkylamino compound that is indole substituted at position 3 by an aminomethyl group. It has a role as a metabolite. It is an aminoalkylindole and an aralkylamino compound. It is a conjugate base of an indol-3-ylmethylamine(1+).

이름 및 식별자

우선 이름: 1H-Indol-3-Ylmethanamine
IUPAC: 1H-indol-3-ylmethanamine
현지명: (1H-INDOL-3-YL)메타나민
영어명: (1H-Indol-3-yl)methanamine
분자식: C9H10N2
분자량: 146.19

이름 및 동의어

(1H-Indol-3-yl)methanamine22259-53-61H-indol-3-ylmethanamine3-(aminomethyl)indoleIndole-3-methanamine3-IndoylmethanamineE4P3UW7XBFIndole, 3-(aminomethyl)-DTXSID40332897RefChem:438658DTXCID70283989812-123-4

이름 더 보기

(1H-INDOL-3-YL)메타나민RARECHEM AL BW 03823-Methyl-1H-indol-1-amine

1H-Indole-3-methanamine1H-Indol-3-ylmethylamineIndol-3-ylmethylamine1-(1H-indol-3-yl)methanamineMFCD016312103-aminomethylindoleCHEMBL6509CHEBI:65009

데이터베이스 식별자

CAS: 22259-53-6
PubChem CID: 472107
DTXSID: DTXSID40332897
ChEMBL: CHEMBL6509
ChEBI: CHEBI:65009
UNII: E4P3UW7XBF
EC Number: 812-123-4
Nikkaji: J580.087K

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 41.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

실험 및 물리화학적 성질

LogP1.55

Melting Point104 - 107 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 101 · 101-102℃
끓는 점: 336 ℃ · 336℃
밀도: 1.199 · 1.199
인화점: 183 ℃ · 183℃
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: Solid
산도 계수 (pKa): 17.13 · 17.13±0.30(Predicted)
색상: Brown to reddish brown

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.