N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide

HCID 11529455

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基本情報

CAS: 30069-31-9
標準SMILES: Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N
InChIKey: UFOJNUSJWKEEEQ-UHFFFAOYSA-N
分子式: C15H13F3N2O
平均分子量: 294.27 g/mol
単同位体質量: 294.09799753

名称と識別子

優先名称: N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide
IUPAC: N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide
英語名: N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide
分子式: C15H13F3N2O
分子量: 294.27

名称と別名

N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide30069-31-9DTXSID30468114RefChem:361227DTXCID90418933869-784-7MFCD09930727SCHEMBL374471N-(3-Amino-4-methyl-phenyl)-3-trifluoromethyl-benzamideN-(3-amino-4-methyl-phenyl)-3-(trifluoromethyl)benzamideTQP0940XOFRFSPSRHTALR-UHFFFAOYSA-N

名称をさらに表示

Benzamide, N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)-FBA06931AKOS000171576AC-33898BS-52120DB-298331CS-0251769EN300-56001

データベース識別子

CAS: 30069-31-9
PubChem CID: 11529455
DTXSID: DTXSID30468114
EC Number: 869-784-7

物性

構造計算による物性

XLogP: 3.3
極性表面積: 55.1 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 21
形式電荷: 0
複雑度: 372

物理化学的性質

沸点: 338.4 · 338.4±42.0 °C(Predicted)
比重(密度): 1.335 · 1.335±0.06 g/cm3(Predicted)
酸解離定数(Pka): 12.88 · 12.88±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, 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.