3-メチルアミノメチル-1H-インドール

N-Methyl-1H-indole-3-methanamine

HCID 96388CAS 36284-95-4

基本情報

標準SMILES: CNCc1c[nH]c2ccccc12
InChIKey: BIFJNBXQXNWYOL-UHFFFAOYSA-N
分子式: C10H12N2
平均分子量: 160.22 g/mol
単同位体質量: 160.10004838

概要

3-(methylaminomethyl)indole is an aminoalkylindole that is indole carrying a methylaminomethyl substituent at postion 3. It has a role as a plant metabolite. It is an aminoalkylindole, an indole alkaloid and a secondary amino compound.

名称と識別子

優先名称: N-Methyl-1H-indole-3-methanamine
IUPAC: 1-(1H-indol-3-yl)-N-methylmethanamine
現地名: 3-メチルアミノメチル-1H-インドール
英語名: 1H-Indole-3-methanamine, N-methyl-
分子式: C10H12N2
分子量: 160.22

名称と別名

36284-95-41-(1H-indol-3-yl)-N-methylmethanamineN-Methyl-3-aminomethylindoleNMAMI1H-Indole-3-methanamine, N-methyl-HM87YT7IUSDTXSID20189826N-METHYL-1H-INDOLE-3-METHANAMINERefChem:854729DTXCID80112317N-NorgramineN-METHYL-N-[(1H-INDOL-3-YL)METHYL]AMINE

名称をさらに表示

N-メチル-1H-インドール-3-メタンアミン[(1H-インドール-3-イル)メチル](メチル)アミン3-メチルアミノメチル-1H-インドールN-メチル-1H-インドール-3-(メタンアミン)1,4-Pentanediamine,N4-(6-methoxy-12-quinolinyl)-N-Methyl-N-[(1H-Indol-3-Yl)Methyl]Amine(WX609064)N-(1H-indol-3-ylmethyl)-N-methylamine hydrochloride2-Piperidinecarboxylicacid,methylester,(2R)-,hydrochloride(1:5)

N-Methyl-N-[1H-indol-3-yl)methyl]amine[(1H-indol-3-yl)methyl](methyl)amine3-(methylaminomethyl)indoleMFCD03011586N-methyl-N-(indol-3-ylmethyl)amine(Indol-3-ylmethyl)methylamineCHEBI:137310(indol-3-yl)-N-methylmethanamine

データベース識別子

CAS: 36284-95-4
PubChem CID: 96388
DTXSID: DTXSID20189826
ChEBI: CHEBI:137310
UNII: HM87YT7IUS
EC Number: 975-475-9
Nikkaji: J580.088I

物性

構造計算による物性

XLogP: 1.3
極性表面積: 27.8 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: 2
重原子数: 12
形式電荷: 0
複雑度: 147

物理化学的性質

沸点: 311.7 · 311.7±17.0 °C(Predicted)
比重(密度): 1.116 · 1.116±0.06 g/cm3(Predicted)
酸解離定数(Pka): 17.34 · 17.34±0.30(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.