(4-クロロフェニル)(フェニル)メタンアミン

(4-Chlorophenyl)(phenyl)methanamine

HCID 409810CAS 28022-43-7

部分構造検索類似構造を探す

基本情報

標準SMILES: NC(c1ccccc1)c1ccc(Cl)cc1
InChIKey: XAFODXGEQUOEKN-UHFFFAOYSA-N
分子式: C13H12ClN
平均分子量: 217.69 g/mol
単同位体質量: 217.06582706

名称と識別子

優先名称: (4-Chlorophenyl)(phenyl)methanamine
IUPAC: (4-chlorophenyl)-phenylmethanamine
現地名: (4-クロロフェニル)(フェニル)メタンアミン
英語名: (4-Chlorophenyl)phenylmethylamine hydrochloride
分子式: C13H12ClN
分子量: 217.7

名称と別名

28022-43-7(4-Chlorophenyl)(phenyl)methanamine4-CHLOROBENZHYDRYLAMINEP-chlorobenzhydrylamineMFCD000444881-(4-chlorophenyl)-1-phenylmethanamine(4-chlorophenyl)-phenylmethanamine(4-CHLOROPHENYL)PHENYLMETHYLAMINE HYDROCHLORIDE4-Chloro-alpha-phenylbenzenemethanamine(4-chlorophenyl)phenylmethylaminealpha-(4-chlorophenyl)benzylamineSTK496058

名称をさらに表示

(4-クロロフェニル)(フェニル)メタンアミンTIMTEC-BB SBB003126LABOTEST-BB LT00159488Levocetirizine Impurity 144-CHLOROBENZHYDRYLAMINE HCL4-Chloro-α-phenyl-benzenemethanamine4-Chloro-a-phenyl-benzenemethanamine4-CHLOROBENZHYDRYLAMINE HYDROCHLORIDE1-(4-Chlorophenyl)-1-phenylmethylamineBenzenemethanamine, 4-chloro-α-phenyl-

AKOS002679528AKOS016048911SB79348AS-40882C-(4-Chloro-phenyl)-C-phenyl-methylamineBenzenemethanamine, 4-chloro-.alpha.-phenyl-EN300-120171-(4-chlorophenyl)-1-phenylmethanamine hydrochloride

データベース識別子

CAS: 28022-43-7、5267-39-0
PubChem CID: 409810
DTXSID: DTXSID201370595
ChEMBL: CHEMBL161869
UNII: E6HD3BL36M
EC Number: 837-547-7
Nikkaji: J231.947K

物性

構造計算による物性

XLogP: 3.5
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 181

物理化学的性質

融点: 300 · 300-305 °C (dec.)(lit.)
沸点: 161 °C · 161 °C(Press: 0.9 Torr)
比重(密度): 1.175 · 1.175
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 8.08 · 8.08±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

化学と産業

応用分野

使用4-Chloro-alpha-phenyl-benzenemethanamine is a component of the antihistamine Cetirizine. As a result, 4-Chloro-alpha-phenyl-benzenemethanamine has been used to study Cetrizine’s absorption, distribution, metabolism and excretion.