4-(메틸설포닐)벤질아민염산염

4-Methylsulfonylbenzylamine hydrochloride

HCID 2729269

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 98593-51-2
표준 SMILES: CS(=O)(=O)c1ccc(CN)cc1.Cl
InChIKey: NRXMOYDZMKXKMJ-UHFFFAOYSA-N
분자식: C8H12ClNO2S
평균 분자량: 221.71 g/mol
단동위원소 질량: 221.0277273

이름 및 식별자

우선 이름: 4-Methylsulfonylbenzylamine hydrochloride
IUPAC: (4-methylsulfonylphenyl)methanamine;hydrochloride
현지명: 4-(메틸설포닐)벤질아민염산염
영어명: 4-(Methylsulphonyl)benzylamine hydrochloride
분자식: C8H12ClNO2S
분자량: 221.7

이름 및 동의어

98593-51-24-Methanesulfonylbenzylamine hydrochloride4-methylsulfonylbenzylamine hydrochloride4-(Methylsulfonyl)benzylamine hydrochlorideBenzenemethanamine, 4-(methylsulfonyl)-, hydrochloride4LA59YMY4ZBENZYLAMINE, p-(METHYLSULFONYL)-, HYDROCHLORIDE4-METYLSULFONYLBENSYLAMIN HYDROCHLORIDE4-(METHYLSULFONYL)BENZYLAMINE MONOHYDROCHLORIDEp-(Methylsulfonyl)benzylamine hydrochlorideV 335BENZENEMETHANAMINE, 4-(METHYLSULFONYL)-, HYDROCHLORIDE (1:1)

이름 더 보기

4-(메틸설포닐)벤질아민염산염4-(methylthio)-1,2-dihydroquinazolinep-methylsulphonylbenzylaminehydrochloride4-(methylsulfonyl)benzyamine hydrochloride4-METHYLSULPHONYLBENZYLAMINE HYDROCHLORIDEp-(methylsulfonyl)-benzylaminhydrochloridep-(methylsulfonyl)benzylaminehydrochloride4-(Aminomethyl)phenyl methyl sulphone hydrochloride

RefChem:525721811-465-1p-Methylsulphonylbenzylamine hydrochloride(4-(methylsulfonyl)phenyl)methanamine hydrochloride4-(methylsulphonyl)benzylamine hydrochlorideMFCD00216491(4-methanesulfonylphenyl)methanamine hydrochloride4-(Methylsulphonyl)benzylamine HCl

데이터베이스 식별자

CAS: 98593-51-2
PubChem CID: 2729269
DTXSID: DTXSID90913175
UNII: 4LA59YMY4Z
EC Number: 811-465-1

물성

구조 계산 물성

극성 표면적: 68.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 222

물리화학적 성질

녹는점: 272 · 272-274
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: solid
InChI: 1S/C8H11NO2S.ClH/c1-12(10,11)8-4-2-7(6-9)3-5-8;/h2-5H,6,9H2,1H3;1H
InChIKey: NRXMOYDZMKXKMJ-UHFFFAOYSA-N
SMILES: Cl.CS(=O)(=O)c1ccc(CN)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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)

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.