CAS 4792-60-3 4-(Benzyloxy)-2-methylaniline (HCID 16773053)

基本情報

CAS: 4792-60-3
標準SMILES: Cc1cc(OCc2ccccc2)ccc1N
InChIKey: YMZVPMQBIGSBOW-UHFFFAOYSA-N
分子式: C14H15NO
平均分子量: 213.27 g/mol
単同位体質量: 213.1153641

名称と識別子

優先名称: 4-(Benzyloxy)-2-methylaniline
IUPAC: 2-methyl-4-phenylmethoxyaniline
現地名: 4-(ベンジルオキシ)-2-メチルアニリン
英語名: 4-(BENZYLOXY)-2-METHYLANILINE
分子式: C14H15NO
分子量: 213.27

名称と別名

4-(BENZYLOXY)-2-METHYLANILINE4792-60-3DTXSID50588227RefChem:288532DTXCID20538991836-709-42-methyl-4-phenylmethoxyanilineMFCD086868694-Benzyloxy-2-methylaniline4-benzyloxy-2-methyl aniline4-benzyloxy-2-methyl-anilineSCHEMBL1894067

名称をさらに表示

4-(ベンジルオキシ)-2-メチルアニリン4-Benzyloxy-2-methyl-phenylamine4-(benzyloxy)-2-methylbenzenamineBenzenaMine, 2-Methyl-4-(phenylMethoxy)-4-(BENZYLOXY)-2-METHYLANILINE ISO 9001：2015 REACH

4-benzyloxy-2-methylphenylamineYMZVPMQBIGSBOW-UHFFFAOYSA-NAKOS000129220SB76967FB170004MS-10993DB-087211EN300-79077

データベース識別子

CAS: 4792-60-3
PubChem CID: 16773053
DTXSID: DTXSID50588227
EC Number: 836-709-4

物性

構造計算による物性

XLogP: 2.7
極性表面積: 35.3 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: 3
重原子数: 16
形式電荷: 0
複雑度: 201

物理化学的性質

融点: 95.5 °C · 95.5 °C
沸点: 120 · 120-122 °C(Press: 0.01 Torr)
比重(密度): 1.106 · 1.106±0.06 g/cm3(Predicted)
酸解離定数(Pka): 5.01 · 5.01±0.10(Predicted)

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.