(1-シクロプロピルプロピル)アミン

1-Cyclopropylpropan-1-amine

HCID 3985879

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 219736-10-4
標準SMILES: CCC(N)C1CC1
InChIKey: OXXSMQHKMPTBAR-UHFFFAOYSA-N
分子式: C6H13N
平均分子量: 99.17 g/mol
単同位体質量: 99.10479942

名称と識別子

優先名称: 1-Cyclopropylpropan-1-amine
IUPAC: 1-cyclopropylpropan-1-amine
現地名: (1-シクロプロピルプロピル)アミン
英語名: (1-Cyclopropylpropyl)amine
分子式: C6H13N
分子量: 99.17412

名称と別名

1-cyclopropylpropan-1-amine219736-10-4DTXSID00398393RefChem:229881DTXCID30349252835-125-7(1-cyclopropylpropyl)amineMFCD051919391-cyclopropyl-propylamine1-Cyclopropyl-1-propanamineSCHEMBL2427004SCHEMBL2427007

名称をさらに表示

(1-シクロプロピルプロピル)アミンCyclopropanemethanamine, α-ethyl-

SCHEMBL27370199SCHEMBL27394162OXXSMQHKMPTBAR-UHFFFAOYSA-NALBB-018073AKOS010036518(1-Cyclopropylpropyl)amine, AldrichCPRLS-05960SY198389

データベース識別子

CAS: 219736-10-4
PubChem CID: 3985879
DTXSID: DTXSID00398393
EC Number: 835-125-7

物性

構造計算による物性

XLogP: 1
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: 7
形式電荷: 0
複雑度: 57

物理化学的性質

沸点: 124.9 · 124.9±8.0 °C(Predicted)
比重(密度): 0.909 · 0.909±0.06 g/cm3(Predicted)
外見: solid
酸解離定数(Pka): 10.9 · 10.90±0.29(Predicted)
InChI: 1S/C6H13N/c1-2-6(7)5-3-4-5/h5-6H,2-4,7H2,1H3
InChIKey: OXXSMQHKMPTBAR-UHFFFAOYSA-N
SMILES: CCC(N)C1CC1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)

安全データ

wgk: WGK 3
risk_code: 25-36
hazard_code: T
safety_code: 26-45
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用(1-Cyclopropylpropyl)amine was used in the study of preparation of aryl(alkylamino)nitropyridines, pyridino and pyrimidino pyrazinones as corticotropi releasing factor receptor antagonists for treatment of anxiety and depression.