1H-インドール-3-イルメチルアミン

1H-Indol-3-Ylmethanamine

HCID 472107

基本情報

CAS: 22259-53-6
標準SMILES: NCc1c[nH]c2ccccc12
InChIKey: JXYGLMATGAAIBU-UHFFFAOYSA-N
分子式: C9H10N2
平均分子量: 146.19 g/mol
単同位体質量: 146.08439832

概要

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+).

名称と識別子

優先名称: 1H-Indol-3-Ylmethanamine
IUPAC: 1H-indol-3-ylmethanamine
現地名: 1H-インドール-3-イルメチルアミン
英語名: (1H-Indol-3-yl)methanamine
分子式: C9H10N2
分子量: 146.19

名称と別名

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

名称をさらに表示

1H-インドール-3-イルメチルアミンRARECHEM AL BW 03823-Methyl-1H-indol-1-amine

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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.8
極性表面積: 41.8 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 136

実験および物理化学的性質

LogP1.55

Melting Point104 - 107 °C

Physical DescriptionSolid

物理化学的性質

融点: 101 · 101-102℃
沸点: 336 ℃ · 336℃
比重(密度): 1.199 · 1.199
闪点: 183 ℃ · 183℃
貯蔵温度: 2 · 2-8°C(protect from light)
外見: Solid
酸解離定数(Pka): 17.13 · 17.13±0.30(Predicted)
色: Brown to reddish brown

安全と法規制

GHS分類

GHS Classification · 4 件

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.