N-(2-methylpropyl)cyclopentanamine

HCID 28428761CAS 42870-64-4

基本情報

標準SMILES: CC(C)CNC1CCCC1
InChIKey: CVKXFVVZAOTNNJ-UHFFFAOYSA-N
分子式: C9H19N
平均分子量: 141.25 g/mol
単同位体質量: 141.15174961

名称と識別子

優先名称: N-(2-methylpropyl)cyclopentanamine
IUPAC: N-(2-methylpropyl)cyclopentanamine
英語名: N-(2-methylpropyl)cyclopentanamine
分子式: C9H19N
分子量: 141.25

名称と別名

N-(2-methylpropyl)cyclopentanamine42870-64-4RefChem:825653848-550-8N-isobutylcyclopentanamineN-Cyclopentyl-N-isobutylaminecyclopentyl-isobutyl-amineSCHEMBL172662SCHEMBL3920578CVKXFVVZAOTNNJ-UHFFFAOYSA-NAKOS000226573CS-0246411

名称をさらに表示

Cyclopentanamine, N-(2-methylpropyl)-

EN300-32550Z90515478

データベース識別子

CAS: 42870-64-4
PubChem CID: 28428761
EC Number: 848-550-8

物性

構造計算による物性

XLogP: 2.4
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: 10
形式電荷: 0
複雑度: 82

物理化学的性質

沸点: 172 · 172-176 °C
比重(密度): 0.84 · 0.84±0.1 g/cm3(Predicted)
酸解離定数(Pka): 11.12 · 11.12±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.