CAS 709649-56-9 [(4-Methanesulfonylphenyl)methyl](methyl)amine (HCID 22386825)

기본 정보

CAS: 709649-56-9
표준 SMILES: CNCc1ccc(S(C)(=O)=O)cc1
InChIKey: FCSGUPZFOJUBOL-UHFFFAOYSA-N
분자식: C9H13NO2S
평균 분자량: 199.27 g/mol

이름 및 식별자

우선 이름: [(4-Methanesulfonylphenyl)methyl](methyl)amine
IUPAC: N-methyl-1-(4-methylsulfonylphenyl)methanamine
현지명: N-메틸-4-(메틸설포닐)벤젠메탄아민
영어명: N-methyl-4-(methylsulfonyl)benzenemethanamine
분자식: C9H13NO2S
분자량: 199.27

이름 및 동의어

[(4-methanesulfonylphenyl)methyl](methyl)amine709649-56-9N-methyl-4-(methylsulfonyl)benzenemethanamineN-methyl-1-(4-methylsulfonylphenyl)methanamineSCHEMBL1251842SCHEMBL4573368FCSGUPZFOJUBOL-UHFFFAOYSA-NJDB64956MFCD13249634AKOS008145595(4-Methanesulfonyl-benzyl)-methyl-amineDA-41623

이름 더 보기

N-메틸-4-(메틸설포닐)벤젠메탄아민N-Methyl-1-(4-(methylsulfonyl)phenyl)methanamineBenzenemethanamine, N-methyl-4-(methylsulfonyl)-

EN300-83289G58148A1-14983Z751904166

데이터베이스 식별자

CAS: 709649-56-9
PubChem CID: 22386825
EC Number: 117-319-7

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 54.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 235

물리화학적 성질

끓는 점: 348.6 · 348.6±34.0 °C(Predicted)
밀도: 1.152 · 1.152±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.68 · 8.68±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.