2-アニリノ-2-フェニル酢酸

alpha-(Phenylamino)benzeneacetic acid

HCID 19375CAS 3684-12-6

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(O)C(Nc1ccccc1)c1ccccc1
InChIKey: NFEVMRNCAGDLBK-UHFFFAOYSA-N
分子式: C14H13NO2
平均分子量: 227.26 g/mol
単同位体質量: 227.09462866

名称と識別子

優先名称: alpha-(Phenylamino)benzeneacetic acid
IUPAC: 2-anilino-2-phenylacetic acid
現地名: 2-アニリノ-2-フェニル酢酸
英語名: ANILINO(PHENYL)ACETIC ACID
分子式: C14H13NO2
分子量: 227.26

名称と別名

phenyl(phenylamino)acetic acidDTXSID001346520alpha-(Phenylamino)benzeneacetic acidRefChem:555330DTXCID001775183640-443-23684-12-6anilino(phenyl)acetic acid2-phenyl-2-(phenylamino)acetic acid2-Anilino-2-phenylacetic acidPhenyl-phenylamino-acetic acidN,2-Diphenylglycine

名称をさらに表示

N,2-ジフェニルグリシン2-アニリノ-2-フェニル酢酸アニリノ(フェニル)酢酸2-フェニル-2-(フェニルアミノ)酢酸アニリノフェニル酢酸α-アニリノベンゼン酢酸0/6/84CHEMBRDG-BB 4140263Benzeneacetic acid, α-(phenylamino)-alpha-(phenylamino)-benzeneaceticaci

MFCD01724775GLYCINE, N,2-DIPHENYL-N,alpha-DiphenylglycineN,alpha-Diphenylglycine; N-Phenyl-2-phenylglycine; NSC 3335NSC3335NSC 3335n,2-diphenyl-glycinBenzeneacetic acid, alpha-(phenylamino)-

データベース識別子

CAS: 3684-12-6
PubChem CID: 19375
DTXSID: DTXSID001346520
EC Number: 640-443-2
Nikkaji: J49.230B

物性

構造計算による物性

XLogP: 3.2
極性表面積: 49.3 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: 17
形式電荷: 0
複雑度: 243

物理化学的性質

融点: 172 · 172-173 °C
沸点: 412.3 · 412.3±33.0 °C(Predicted)
比重(密度): 1.252 · 1.252±0.06 g/cm3(Predicted)
酸解離定数(Pka): 1.68 · 1.68±0.10(Predicted)

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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

毒性: mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 56, 1954.
hs_code: 2921490090
hazard_code: C