CAS 52568-28-2 2-(2-Pyridyl)-2-propylamine (HCID 22736922)

基本情報

CAS: 52568-28-2
標準SMILES: CC(C)(N)c1ccccn1
InChIKey: DQSQBZXDMHDHEO-UHFFFAOYSA-N
分子式: C8H12N2
平均分子量: 136.19 g/mol
単同位体質量: 136.10004838

名称と識別子

優先名称: 2-(2-Pyridyl)-2-propylamine
IUPAC: 2-pyridin-2-ylpropan-2-amine
英語名: [1-Methyl-1-(pyridin-2-yl)ethyl]amine
分子式: C8H12N2
分子量: 136.19

名称と別名

2-(2-PYRIDYL)-2-PROPYLAMINERefChem:454423809-382-052568-28-22-(PYRIDIN-2-YL)PROPAN-2-AMINE[1-METHYL-1-(PYRIDIN-2-YL)ETHYL]AMINE2-pyridin-2-ylpropan-2-amine1-methyl-1-pyridin-2-yl-ethylamineMFCD08729302C8H12N2(1-methyl-1-(pyridin-2-yl)ethyl)amine2-(2-pyridinyl)-2-propanamine

名称をさらに表示

104193Huang hydrosilylation catalystα,α-Dimethyl-2-pyridinemethanamine2-Pyridinemethanamine, α,α-dimethyl-2-(Pyridin-2-yl)isopropyl amine 95% (GC)alpha,alpha-DiMethyl-2-pyridineMethanaMine

2-(Pyridin-2-yl)isopropyl amine9271AHSCHEMBL1114414SCHEMBL1813470SCHEMBL10844864SCHEMBL10845956SCHEMBL294358832-amino-2-(2-pyridyl)-propane

データベース識別子

CAS: 52568-28-2
PubChem CID: 22736922
DTXSID: DTXSID90627962
EC Number: 809-382-0
Nikkaji: J278.687G

物性

構造計算による物性

XLogP: 0.3
極性表面積: 38.9 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

沸点: 212.7 · 212.7±15.0 °C(Predicted)
比重(密度): 0.98 g/mL · 0.9800 g/mL at 25℃
屈折率: 1.516 · n/D1.516
闪点: 79 ℃ · 79℃
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 9.4 · 9.40±0.50(Predicted)
外見: 液体
InChI: InChI=1S/C8H12N2/c1-8(2,9)7-5-3-4-6-10-7/h3-6H,9H2,1-2H3
InChIKey: DQSQBZXDMHDHEO-UHFFFAOYSA-N
SMILES: NC(C)(C1=NC=CC=C1)C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 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 CategoriesAcute Tox. 4 (100%)

安全データ

wgk: WGK 3
hs_code: 2933399990
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用The Shi Auxiliary is a powerful directing group for the hydroxylation of arenes through copper-mediated C-H activation. This useful auxiliary can be removed through acid-mediated hydrolysis and has shown to be done on gram-scale.

一般的な説明2-(Pyridin-2-yl)isopropyl amine (PIP-amine) is a tertiary amine. A bidentate directing group, useful for the functionalization of C-H bond, has been developed from PIP-amine.