Benzylaniline (HCID 66028)

概要

major metabolite of antazoline; RN given refers to parent cpd

名称と識別子

優先名称: Benzylaniline
IUPAC: N-benzylaniline
現地名: N-フェニルベンジルアミン
英語名: N-Phenylbenzylamine
分子式: C13H13N
分子量: 183.25

名称と別名

N-Benzylaniline103-32-2N-PhenylbenzylamineBenzylanilinePhenylbenzylamineBenzenemethanamine, N-phenyl-BenzylphenylamineBenzylamine, N-phenyl-Benzenamine, N-(phenylmethyl)-N-benzylbenzenamineR1FVH9A316NSC-147284

名称をさらに表示

N-フェニルベンジルアミンベンジルフェニルアミンベンジルアニリンN-ベンジルアニリンベンジル(フェニル)アミンN-フェニルベンゼンメタンアミンN-ベンジルベンゼンアミンフェニルベンジルアミンN-ベンジルフェニルアミンN‐フェニルベンジルアミンN-ベンジル-N-フェニルアミンaminobenzophenoneBENZYL-PHENYL-AMINEN-BenzylphenylamineAURORA 4803PhenhenzamineA-TOLUYL CHLORIDEaniline,N-benzyl-

DTXSID7059272RefChem:566935DTXCID3032759203-100-4Aniline, N-benzyl-N-MonobenzylanilineN-benzyl anilineN-Phenylbenzenemethanamine

データベース識別子

CAS: 103-32-2
PubChem CID: 66028
DTXSID: DTXSID7059272
ChEMBL: CHEMBL237223
UNII: R1FVH9A316
EC Number: 203-100-4
Nikkaji: J5.015F

物性

構造計算による物性

XLogP: 3.1
極性表面積: 12 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: 3
重原子数: 14
形式電荷: 0
複雑度: 143

実験および物理化学的性質

PolymersNitrogen Compounds -> Amines, Polyaromatic

SpringerMaterials PropertiesBoiling point

Vapor Pressure0.000913 [mmHg]

Physical DescriptionSolid; mp = 37-38 deg C; [Merck Index] Yellow solidified mass or fragments; mp = 35-38 deg C; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 35 · 35-38 °C (lit.)
沸点: 306 · 306-307 °C (lit.)
比重(密度): 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.5325(lit.)
闪点: 217 °F · 217 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: アルコール：可溶
外見: 結晶性粉末または低融点塊
酸解離定数(Pka): 3.89 · 3.89±0.10(Predicted)
色: 無色～黄ベージュ
比重: 1.061 · 1.061
水溶解度: 不溶性
Merck: 14 · 14,1126
InChI: 1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey: GTWJETSWSUWSEJ-UHFFFAOYSA-N
SMILES: C(Nc1ccccc1)c2ccccc2
CAS データベース: 103 · 103-32-2(CAS DataBase Reference)
NISTの化学物質情報: Benzenemethanamine, N-phenyl-(103-32-2)
EPAの化学物質情報: Benzenemethanamine, N-phenyl- (103-32-2)

化学的性質

化学的特性colorless to yellow-beige crystalline powder

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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzenemethanamine, N-phenyl-

Benzenemethanamine, N-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Diphenylamine and N-Ethyl-N-benzylaniline.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 21
wgk: 3
tsca: TSCA listed
ridadr: UN 2577 8/PG 2
hs_code: 29214980
risk_code: 36/37/38
化審法: (3)-374
hazard_code: C,Xi
safety_code: 26-37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesMajor metabolite of antazoline. [ChemIDplus]

General Manufacturing InformationBenzenemethanamine, N-phenyl-: ACTIVE

応用分野 · 2 件

使用N-Benzylaniline is a major metabolite of the antihistaminic Antazoline and other N-substituted benzylanilines.

一般的な説明The electropolymerisation of N-benzylaniline at transparent Indium Tin Oxide glass electrodes has been investigated by UV-visible spectroelectrochemistry. N-Benzylaniline on electrochemical oxidation in aqueous sulfuric acid solution produces an adherent conducting polymer film at the platinum electrode.

調製方法

純化方法Crystallise the amine from pet ether (b 60-80o) (ca 0.5mL/g). The picrate has m 113o (from Et2O). [Beilstein 12 H 1023, 12 I 449, 12 II 548, 12 III 2215, 12 IV 2172.]