酢酸[(1-メチル-1H-インドール-5-イル)メチル]アミン

(1-methyl-1H-indol-5-yl)methylamine

HCID 18525752CAS 884507-17-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cn1ccc2cc(CN)ccc21
InChIKey: XYCZKICJSDSNOW-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

(1-Methyl-1H-indol-5-yl)methylamine is a member of indoles.

名称と識別子

優先名称: (1-methyl-1H-indol-5-yl)methylamine
IUPAC: (1-methylindol-5-yl)methanamine
現地名: 酢酸[(1-メチル-1H-インドール-5-イル)メチル]アミン
英語名: (1-Methyl-1H-indol-5-yl)methylamine
分子式: C10H12N2
分子量: 160.22

名称と別名

(1-methyl-1H-indol-5-yl)methylamineRefChem:392320855-743-0(1-Methyl-1H-indol-5-yl)methanamine884507-17-9(1-methylindol-5-yl)methanamineMFCD090258391-Methylindole-5-methanamineSCHEMBL110146CHEBI:194964DTXSID805945131-(1-methyl-1H-indol-5-yl)methanamine acetate

名称をさらに表示

酢酸[(1-メチル-1H-インドール-5-イル)メチル]アミン(1-Methyl-1H-indol-5-yl)5-Aminomethyl-1-methylindole1H-Indole-5-methanamine, 1-methyl-(1-methyl-1H-indole-5-yl)methylamine(1-methyl-1H-indol-5-yl)methanamine acetate[(1-Methyl-1H-indol-5-yl)methyl]amine acetate

AKOS006282775SB76221orb3177781(1-methylindol-5-yl)methylamineALBB-016195SBB0874541-(1-Methyl-1H-indol-5-yl)methanamineDS-15625

データベース識別子

CAS: 884507-17-9
PubChem CID: 18525752
DTXSID: DTXSID80594513
ChEBI: CHEBI:194964
EC Number: 855-743-0

物性

構造計算による物性

XLogP: 1.6
極性表面積: 31 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 158

物理化学的性質

融点: 55 °C · 55 °C
沸点: 319.4 · 319.4±17.0 °C(Predicted)
比重(密度): 1.11 · 1.11±0.1 g/cm3 (20 ºC 760 Torr)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: solid
酸解離定数(Pka): 9.27 · 9.27±0.40(Predicted)
InChI: 1S/C10H12N2/c1-12-5-4-9-6-8(7-11)2-3-10(9)12/h2-6H,7,11H2,1H3
InChIKey: XYCZKICJSDSNOW-UHFFFAOYSA-N
SMILES: Cn1ccc2cc(CN)ccc12

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, 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.