1-(4-Methylphenyl)-3-phenylurea

HCID 572170CAS 4300-33-8

基本情報

標準SMILES: Cc1ccc(NC(=O)Nc2ccccc2)cc1
InChIKey: AGZGRJNNPSJVKR-UHFFFAOYSA-N
分子式: C14H14N2O
平均分子量: 226.27 g/mol
単同位体質量: 226.11061307

名称と識別子

優先名称: 1-(4-Methylphenyl)-3-phenylurea
IUPAC: 1-(4-methylphenyl)-3-phenylurea
英語名: 4'-Methylcarbanilide
分子式: C14H14N2O
分子量: 226.27

名称と別名

1-(4-methylphenyl)-3-phenylurea4300-33-8DTXSID20341306RefChem:225487DTXCID002923873-(4-methylphenyl)-1-phenylurea1-Phenyl-3-(p-tolyl)ureaN-(4-methylphenyl)-N'-phenylurea1-Phenyl-3-p-tolylurea4'-METHYLCARBANILIDE1-p-tolyl-3-phenylureaN-phenyl-N'-p-tolylurea

名称をさらに表示

Urea, N-(4-methylphenyl)-N'-phenyl-

Oprea1_621055SCHEMBL77002SCHEMBL95460SCHEMBL366747MFCD00025971N-(4-Methylphenyl)-N'-phenyl-ureaSTK417955AKOS002943786

データベース識別子

CAS: 4300-33-8
PubChem CID: 572170
DTXSID: DTXSID20341306
EC Number: 688-750-0
Nikkaji: J1.070.520G

物性

構造計算による物性

XLogP: 3.4
極性表面積: 41.1 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 241

物理化学的性質

融点: 218 °C · 218 °C
沸点: 280.8 · 280.8±19.0 °C(Predicted)
比重(密度): 1 · 1+-.0.06 g/cm3(Predicted)
酸解離定数(Pka): 14.46 · 14.46±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.