N-メチル-2-ピロリジン-1-イルエタンアミン DIHYDROCHLORIDE

Methyl(2-(pyrrolidin-1-yl)ethyl)amine

HCID 295976CAS 32776-22-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CNCCN1CCCC1
InChIKey: GYGYDOOXVKDZCF-UHFFFAOYSA-N
分子式: C7H16N2
平均分子量: 128.22 g/mol
単同位体質量: 128.13134851

名称と識別子

優先名称: Methyl(2-(pyrrolidin-1-yl)ethyl)amine
IUPAC: N-methyl-2-pyrrolidin-1-ylethanamine
現地名: N-メチル-2-ピロリジン-1-イルエタンアミン DIHYDROCHLORIDE
英語名: N-methyl-2-pyrrolidin-1-yl-ethanamine
分子式: C7H16N2
分子量: 128.22

名称と別名

methyl[2-(pyrrolidin-1-yl)ethyl]amineMethyl(2-(pyrrolidin-1-yl)ethyl)amineRefChem:818370829-385-032776-22-0N-methyl-2-pyrrolidin-1-ylethanamineN-methyl-2-(pyrrolidin-1-yl)ethanaminemethyl-(2-pyrrolidin-1-yl-ethyl)-amineN-methyl-2-pyrrolidin-1-yl-ethanamineMFCD080597661-Pyrrolidineethanamine,N-methyl-N-methyl-2-(pyrrolidin-1-yl)ethan-1-amine

名称をさらに表示

N-メチル-2-ピロリジン-1-イルエタンアミン DIHYDROCHLORIDEN-メチル-2-ピロリジン-1-イルエタンアミンN-Methyl-2-(pyrrolidin-1-yl)ethanamine 2HClN-Methyl-N-(2-pyrrolidin-1-ylethyl)amineN-methyl-2-pyrrolidin-1-ylethanamine dihydrochlorideN-methyl-2-pyrrolidin-1-ylethanamine(SALTDATA: FREE)

CHEMBL4445795methyl(2-pyrrolidinylethyl)amineN-methyl-2-(1-pyrrolidinyl)ethanamine1-Pyrrolidineethanamine, N-methyl-NSC165662SCHEMBL474947SCHEMBL474948SCHEMBL2076864

データベース識別子

CAS: 32776-22-0
PubChem CID: 295976
DTXSID: DTXSID60304415
ChEMBL: CHEMBL4445795
EC Number: 829-385-0

物性

構造計算による物性

XLogP: 0.6
極性表面積: 15.3 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: 3
重原子数: 9
形式電荷: 0
複雑度: 67.3

物理化学的性質

沸点: 171.7 · 171.7±8.0 °C(Predicted)
比重(密度): 0.898 · 0.898±0.06 g/cm3(Predicted)
酸解離定数(Pka): 10.49 · 10.49±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, 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.