CAS 4403-71-8 4-Aminobenzylamine (HCID 427814)

基本情報

CAS: 4403-71-8
標準SMILES: NCc1ccc(N)cc1
InChIKey: BFWYZZPDZZGSLJ-UHFFFAOYSA-N
分子式: C7H10N2
平均分子量: 122.17 g/mol
単同位体質量: 122.08439832

名称と識別子

優先名称: 4-Aminobenzylamine
IUPAC: 4-(aminomethyl)aniline
現地名: 4-アミノベンジルアミン
英語名: 4-Aminobenzylamine
分子式: C7H10N2
分子量: 122.17

名称と別名

4-Aminobenzylamine4403-71-8DTXSID30330206RefChem:97840DTXCID90281301610-164-04-(Aminomethyl)anilineMFCD00075513CHEMBL148476p-Aminobenzylamine4-(aminomethyl)phenylamineBenzenemethanamine, 4-amino-

名称をさらに表示

4-アミノベンジルアミン4-アミノメチルアニリンp-アミノメチルアニリン4-アミノベンゼンメタンアミン4-(アミノメチル)アニリンp-アミノベンジルアミン1-アミノ-4-(アミノメチル)ベンゼン4アミノベンジルアミンα-アミノ-p-トルイジンp-(アミノメチル)アニリンAKOS BB-9159RARECHEM AL BW 0106p-Aminomethylaniline4-Aminobenzylamine 99%4-Aminobenzylamine >4-AMINOBENZYLAMINE 98%+

4-Amonobenzylae4-aminobenzenemethanaminep-Aminobenzylamin4-amino benzylamine4-amino-benzylamine4-aminobenzyl amine4-aminomethyl-aniline4-aminomethylphenylamine

データベース識別子

CAS: 4403-71-8
PubChem CID: 427814
DTXSID: DTXSID30330206
ChEMBL: CHEMBL148476
EC Number: 610-164-0
Nikkaji: J80.821K

物性

構造計算による物性

XLogP: -0.5
極性表面積: 52 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 75

物理化学的性質

融点: 37 °C · 37 °C
沸点: 101 °C/0.05 · 101 °C/0.05 mmHg (lit.)
比重(密度): 1.078 g/mL · 1.078 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.61(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 9.65 · 9.65±0.10(Predicted)
外見: 油性液体
色: クリアライトブラウン～ブラウン
InChI: 1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2
InChIKey: BFWYZZPDZZGSLJ-UHFFFAOYSA-N
SMILES: NCc1ccc(N)cc1
CAS データベース: 4403 · 4403-71-8(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationBenzenemethanamine, 4-amino-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

wgk: 3
ridadr: UN 3259 8/PG 2
hs_code: 29215990
risk_code: 34
化審法: (3)-3897
hazard_code: C
hazard_note: Corrosive
safety_code: 26-28-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

使用4-Aminobenzylamine may be used:in the electrochemical modification of single-walled carbon nanotubes (SWCNTs), via oxidative couplingin the preparation of a novel acridine-based amino acidin the synthesis of two novel fluorescent Photoinduced Electron Transfer (PET) anion sensors, based on the principle of ′fluorophore-spacer-(anion)receptor′in anodic coupling of SWCNTsin the synthesis of polyacrylamide series containing salicylideneaniline moieties, by a double polymer analogous reaction with reactive precursor polymer poly(pentafluorophenylacrylate) (PPFPA)

一般的な説明4-Aminobenzylamine is an aromatic amine. Diazonium cations of 4-aminobenzylamine were generated in situ with sodium nitrite in aqueous HCl, which were used for the modification of glassy carbon electrode by aryl groups having an aliphatic amine group.