CAS 503417-37-6 1-(Pyridin-2-yl)cyclopropanamine (HCID 11105409)

基本情報

CAS: 503417-37-6
標準SMILES: NC1(c2ccccn2)CC1
InChIKey: HRVLXTZHPZXHTR-UHFFFAOYSA-N
分子式: C8H10N2
平均分子量: 134.18 g/mol
単同位体質量: 134.08439832

名称と識別子

優先名称: 1-(Pyridin-2-yl)cyclopropanamine
IUPAC: 1-pyridin-2-ylcyclopropan-1-amine
現地名: 1-(ピリジン-2-イル)シクロプロパンアミン
英語名: Cyclopropanamine, 1-(2-pyridinyl)- (9CI)
分子式: C8H10N2
分子量: 134.18

名称と別名

1-(pyridin-2-yl)cyclopropanamine503417-37-6DTXSID30455286RefChem:227064DTXCID60406105821-927-41-PYRIDIN-2-YL-CYCLOPROPYLAMINE1-pyridin-2-ylcyclopropan-1-amine1-(2-PYRIDYL)CYCLOPROPYLAMINE1-(PYRIDIN-2-YL)CYCLOPROPAN-1-AMINEMFCD08059320CYCLOPROPANAMINE, 1-(2-PYRIDINYL)-

名称をさらに表示

1-(ピリジン-2-イル)シクロプロパンアミン1-(2-pyridinyl)-CyclopropanaMine1-(pyridine-2-yl) cyclopropylamine1-(PYRIDIN-2-YL)CYCLOPROPANAMINE 2HCL

2-(1-aminocyclopropyl)pyridine1-(2-Pyridyl)cyclopropanamineCyclopropanamine,1-(2-pyridinyl)-(9CI)Cyclopropanamine, 1-(2-pyridinyl)- (9CI)SCHEMBL5264251-pyridin-2-ylcyclopropanamineCHEMBL4542870HRVLXTZHPZXHTR-UHFFFAOYSA-N

データベース識別子

CAS: 503417-37-6
PubChem CID: 11105409
DTXSID: DTXSID30455286
ChEMBL: CHEMBL4542870
EC Number: 821-927-4
Nikkaji: J1.765.805K

物性

構造計算による物性

XLogP: 0.1
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: 129

物理化学的性質

融点: 62 ℃ · 62℃
沸点: 239 ℃ · 239℃
比重(密度): 1.15 · 1.150
闪点: 121 ℃ · 121℃
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 7.82 · 7.82±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.