3-Chloroisoquinolin-5-amine

HCID 16749040CAS 58142-49-7

기본 정보

표준 SMILES: Nc1cccc2cnc(Cl)cc12
InChIKey: ZITUQCQEDBPHMJ-UHFFFAOYSA-N
분자식: C9H7ClN2
평균 분자량: 178.62 g/mol
단동위원소 질량: 178.0297759

이름 및 식별자

우선 이름: 3-Chloroisoquinolin-5-amine
IUPAC: 3-chloroisoquinolin-5-amine
영어명: 5-Isoquinolinamine,3-chloro-(9CI)
분자식: C9H7ClN2
분자량: 178.62

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

끓는 점: 372.6 · 372.6±27.0 °C(Predicted)
밀도: 1.363 · 1.363±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 2.14 · 2.14±0.43(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.