CAS 6314-43-8 1-Benzothiophen-2-ylmethylamine (HCID 237074)

基本情報

CAS: 6314-43-8
標準SMILES: NCc1cc2ccccc2s1
InChIKey: WKYFWFHTABURGB-UHFFFAOYSA-N
分子式: C9H9NS
平均分子量: 163.24 g/mol
単同位体質量: 163.04557029

名称と識別子

優先名称: 1-Benzothiophen-2-ylmethylamine
IUPAC: 1-benzothiophen-2-ylmethanamine
現地名: (1-ベンゾチエン-2-イルメチル)アミン
英語名: 1-Benzothiophen-2-ylmethylamine
分子式: C9H9NS
分子量: 163.24

名称と別名

1-benzothiophen-2-ylmethylamineRefChem:429628802-241-46314-43-8benzo[b]thiophen-2-ylmethanamineBenzo[b]thiophene-2-methanamine1-benzothiophen-2-ylmethanamineMFCD00965305(1-benzothiophen-2-yl)methanamineNSC40287NSC-402871-(1-benzothiophen-2-yl)methanamine

名称をさらに表示

(1-ベンゾチエン-2-イルメチル)アミン(1-ベンゾチエン-2-イルメチル)アミン HYDROCHLORIDEbenzothiophen-2-ylmethanamineBenzo[b]thiophene-2-methylamine1-Benzothiophene-2-ylmethylamineBenzo[b]thiophen-2-ylmethylamine2-(Aminomethyl)benzo[b]thiophene2-(Aminomethyl)-1-benzothiophene

Oprea1_6794042-(Aminomethyl)benzothiopheneSCHEMBL240588D9FKN7348U(1-benzothien-2-ylmethyl)amineCHEMBL1770735STK064350SY034711

データベース識別子

CAS: 6314-43-8
PubChem CID: 237074
DTXSID: DTXSID50285047
ChEMBL: CHEMBL1770735
UNII: D9FKN7348U
EC Number: 802-241-4
Nikkaji: J673.441C

物性

構造計算による物性

XLogP: 1.8
極性表面積: 54.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 138

物理化学的性質

融点: 58 °C · 58 °C
沸点: 110 · 110-12°C 0,25mm
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: solid
InChI: 1S/C9H9NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6,10H2
InChIKey: WKYFWFHTABURGB-UHFFFAOYSA-N
SMILES: NCc1cc2ccccc2s1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.