3-Chloroisoquinolin-5-amine

HCID 16749040

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部分構造検索類似構造を探す

基本情報

CAS: 58142-49-7
標準SMILES: Nc1cccc2cnc(Cl)cc12
InChIKey: ZITUQCQEDBPHMJ-UHFFFAOYSA-N
分子式: C9H7ClN2
平均分子量: 178.62 g/mol
単同位体質量: 178.0297759

名称と識別子

優先名称: 3-Chloroisoquinolin-5-amine
IUPAC: 3-chloroisoquinolin-5-amine
英語名: 5-Isoquinolinamine,3-chloro-(9CI)
分子式: C9H7ClN2
分子量: 178.62

名称と別名

3-chloroisoquinolin-5-amine58142-49-7DTXSID00587806RefChem:500489DTXCID00538570993-309-35-AMINO-3-CHLOROISOQUINOLINEMFCD099992405-Isoquinolinamine, 3-chloro-5-isoquinolinamine,3-chloro-(9ci)3-Chloro-5-isoquinolinamine3-Chloroisoquinoline-5-ylamine

名称をさらに表示

3-Chloro-isoquinolin-5-ylamine5-Amino-3-chloroisoquinoline hydrochloride5-Isoquinolinamine,3-chloro-(9CI) ISO 9001：2015 REACH

3-Chloro-5-aminoisoquinoline3-chloro-5-amino isoquinoline3-chloro-5-amino-isoquinolineSCHEMBL2315041SCHEMBL29547853ZITUQCQEDBPHMJ-UHFFFAOYSA-NAKOS005257225SB21495

データベース識別子

CAS: 58142-49-7
PubChem CID: 16749040
DTXSID: DTXSID00587806
EC Number: 993-309-3

物性

構造計算による物性

XLogP: 2.4
極性表面積: 38.9 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: 0
重原子数: 12
形式電荷: 0
複雑度: 163

物理化学的性質

沸点: 372.6 · 372.6±27.0 °C(Predicted)
比重(密度): 1.363 · 1.363±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 2.14 · 2.14±0.43(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.