(3-(Methylsulfonyl)phenyl)methanamine

HCID 2760937

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 855267-50-4
標準SMILES: CS(=O)(=O)c1cccc(CN)c1
InChIKey: DQFOSYRXEOWKOY-UHFFFAOYSA-N
分子式: C8H11NO2S
平均分子量: 185.25 g/mol

名称と識別子

優先名称: (3-(Methylsulfonyl)phenyl)methanamine
IUPAC: (3-methylsulfonylphenyl)methanamine
英語名: 3-(Methylsulfonyl)benzylaminehydrochloride
分子式: C8H12ClNO2S
分子量: 221.70438

名称と別名

(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

名称をさらに表示

3-(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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.5
極性表面積: 68.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 230

物理化学的性質

融点: 57 · 57~59℃
貯蔵温度: Inert atmosphere,Room Temperature
外見: solid
色: White

安全と法規制

GHS分類

GHS Classification · 4 件

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.