CAS 75446-59-2 2-((4-Phenylphenyl)formamido)acetic acid (HCID 262943)

基本情報

CAS: 75446-59-2
標準SMILES: O=C(O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIKey: MYJXSDFBYVYUCD-UHFFFAOYSA-N
分子式: C15H13NO3
平均分子量: 255.27 g/mol
単同位体質量: 255.08954328

名称と識別子

優先名称: 2-((4-Phenylphenyl)formamido)acetic acid
IUPAC: 2-[(4-phenylbenzoyl)amino]acetic acid
英語名: (Biphenyl-4-carbonyl)-amino]-acetic acid
分子式: C15H13NO3
分子量: 255.27

名称と別名

2-[(4-phenylphenyl)formamido]acetic acid2-((4-Phenylphenyl)formamido)acetic acidRefChem:449314824-739-075446-59-2[(biphenyl-4-carbonyl)-amino]-acetic acid2-[(4-phenylbenzoyl)amino]acetic acid2-([1,1'-Biphenyl]-4-ylcarboxamido)acetic acidNSC96993Oprea1_460151SCHEMBL71847CHEMBL1970048

名称をさらに表示

p-Phenylhipouric AcidN-([1,1'-Biphenyl]-4-ylcarbonyl)glycineGlycine,N-([1,1'-biphenyl]-4-ylcarbonyl)-

DTXSID40294542MYJXSDFBYVYUCD-UHFFFAOYSA-NHMS1747C13MFCD00045900NSC-96993AKOS0001167272-(4-Biphenylylcarboxamido)acetic Acid[(Biphenyl-4-carbonyl)amino]acetic acid

データベース識別子

CAS: 75446-59-2
PubChem CID: 262943
DTXSID: DTXSID40294542
ChEMBL: CHEMBL1970048
EC Number: 824-739-0

物性

構造計算による物性

XLogP: 2.9
極性表面積: 66.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 19
形式電荷: 0
複雑度: 315

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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.