2-(Dodecylthio)-aniline

HCID 4670379CAS 61900-55-8

基本情報

標準SMILES: CCCCCCCCCCCCSc1ccccc1N
InChIKey: GKGSIUUNOMZNFW-UHFFFAOYSA-N
分子式: C18H31NS
平均分子量: 293.5 g/mol

名称と識別子

優先名称: 2-(Dodecylthio)-aniline
IUPAC: 2-dodecylsulfanylaniline

名称と別名

2-(DODECYLTHIO)-ANILINERefChem:46085861900-55-8653-986-52-(dodecylthio)anilineSCHEMBL9171692GKGSIUUNOMZNFW-UHFFFAOYSA-NAKOS012771734

データベース識別子

CAS: 61900-55-8
PubChem CID: 4670379
EC Number: 653-986-5
Nikkaji: J2.709.083D

物性

構造計算による物性

XLogP: 7.3
極性表面積: 51.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 12
重原子数: 20
形式電荷: 0
複雑度: 208

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.