4-Methylsulfonylbenzylamine

HCID 57421

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4393-16-2
표준 SMILES: CS(=O)(=O)c1ccc(CN)cc1
InChIKey: VMNXLLDFGVEBLE-UHFFFAOYSA-N
분자식: C8H11NO2S
평균 분자량: 185.25 g/mol
단동위원소 질량: 185.05104959

이름 및 식별자

우선 이름: 4-Methylsulfonylbenzylamine
IUPAC: (4-methylsulfonylphenyl)methanamine
영어명: 4-METHYLSULFONYLBENZYLAMINE HYDROCHLORIDE
분자식: C8H11NO2S
분자량: 185.24

이름 및 동의어

4-(Methylsulfonyl)benzylamine4393-16-2(4-(METHYLSULFONYL)PHENYL)METHANAMINE4-Methylsulfonylbenzylamine4-(Methanesulfonyl)benzylamine4-MetylsulfonylbensylaminBENZENEMETHANAMINE, 4-(METHYLSULFONYL)-(4-(Methylsulfonyl)phenyl)methaneamineUNII-61O466WZW24-(METHYLSULFONYL)BENZENEMETHANAMINE61O466WZW24-Metylsulfonylbensylamin [MERCK]

이름 더 보기

p-(Methylsulfonyl)benzylaminep-methanesulfonylbenzyl amine4-MethylsulfonylbenzylamineHCl4-(Methylsufonyl)benzylamine HCI4-(Methylsulfonyl)benzylamine >4-(Methanesulfonyl)benzemethanamine

4-Metylsulfonylbensylamin [WHO-DD]Benzenemethanamine, 4-(benzylamine, p-(methylsulfonyl)-4-Metylsulfonylbensylamin (MERCK)[4-(methylsulfonyl)phenyl]methanamineRefChem:99949P-(METHYLSULFONYL)BENZYLAMINE)-(4-methylsulfonylphenyl)methanamine(4-methanesulfonylphenyl)methanamine

데이터베이스 식별자

CAS: 4393-16-2
PubChem CID: 57421
DTXSID: DTXSID20963148
UNII: 61O466WZW2
EC Number: 674-182-0
Nikkaji: J3.001.104J

물성

구조 계산 물성

XLogP: 1.5
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: 222

물리화학적 성질

녹는점: 269 · 269-277 °C
끓는 점: 370 ℃ · 370℃
밀도: 1.225 · 1.225
인화점: 178 ℃ · 178℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 결정 또는 결정성 분말
색상: 오렌지 레드

화학적 성질

white to slightly yellow-pink powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.