3-(메틸술포닐)벤질아민염화물

(3-(Methylsulfonyl)phenyl)methanamine

HCID 2760937CAS 855267-50-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CS(=O)(=O)c1cccc(CN)c1
InChIKey: DQFOSYRXEOWKOY-UHFFFAOYSA-N
분자식: C8H11NO2S
평균 분자량: 185.25 g/mol

이름 및 식별자

우선 이름: (3-(Methylsulfonyl)phenyl)methanamine
IUPAC: (3-methylsulfonylphenyl)methanamine
현지명: 3-(메틸술포닐)벤질아민염화물
영어명: 3-(Methylsulfonyl)benzylaminehydrochloride
분자식: C8H12ClNO2S
분자량: 221.70438

이름 및 동의어

(3-(METHYLSULFONYL)PHENYL)METHANAMINERefChem:399702813-589-1855267-50-43-(methylsulfonyl)benzylamine771573-22-9(3-methylsulfonylphenyl)methanamine3-(methylsulfonyl)BenzenemethanamineMFCD06213658Benzenemethanamine, 3-(methylsulfonyl)-3-METHANESULFONYL-BENZYLAMINE(3-methanesulfonylphenyl)methanamine

이름 더 보기

3-(메틸술포닐)벤질아민염화물3-(Methylsulfonyl)benzylamine HCl3-(Methylsulfonyl)benzylaminehydrochloride(3-(Methylsulfonyl)phenyl)methanamine hydrochloride[3-(Methylsulphonyl)phenyl]methylamine hydrochloride, 3-(Aminomethyl)phenyl methyl sulphone hydrochloride

3-methylsulfonyl benzylamine3-(methylsulphonyl)benzylamineSCHEMBL1127911SCHEMBL7049486CHEMBL4556407DQFOSYRXEOWKOY-UHFFFAOYSA-N3-(Methylsulfonyl)phenyl]methanamineAKOS006229292

데이터베이스 식별자

CAS: 855267-50-4
PubChem CID: 2760937
ChEMBL: CHEMBL4556407
EC Number: 813-589-1

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 68.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 230

물리화학적 성질

녹는점: 57 · 57~59℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.