1-(Prop-2-yn-1-yl)pyrrolidine

HCID 299616

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7223-42-9
標準SMILES: C#CCN1CCCC1
InChIKey: IUGUPWHFLZEPHN-UHFFFAOYSA-N
分子式: C7H11N
平均分子量: 109.17 g/mol
単同位体質量: 109.08914935

名称と識別子

優先名称: 1-(Prop-2-yn-1-yl)pyrrolidine
IUPAC: 1-prop-2-ynylpyrrolidine
英語名: 3-(Prop-2-yn-1-yloxy)pyridine
分子式: C7H11N
分子量: 109.17

名称と別名

1-(prop-2-yn-1-yl)pyrrolidineDTXSID90305950RefChem:428401DTXCID20257079825-002-67223-42-91-(PROP-2-YNYL)PYRROLIDINE1-prop-2-ynylpyrrolidine1-(2-Propyn-1-yl)pyrrolidine1-(2-Propynyl)pyrrolidineMFCD037273291-Prop-2-yn-1-ylpyrrolidine

名称をさらに表示

3-(Prop-2-yn-1-yloxy)pyridinePyrrolidine, 1-(2-propyn-1-yl)-1-(prop-2-yn-1-yl)pyrrolidine(WXC07752)

1-(2-Propyn-1-yl)pyrrolidine HClNSC172884N-Propargylpyrrolidine1-Propargylpyrrolidine3-pyrrolidinoprop-1-yneN-(2-Propynyl)pyrrolidine1-prop-2-ynyl-pyrrolidineSCHEMBL123292

データベース識別子

CAS: 7223-42-9
PubChem CID: 299616
DTXSID: DTXSID90305950
EC Number: 825-002-6
Nikkaji: J554.326F

物性

構造計算による物性

XLogP: 0.9
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 103

物理化学的性質

沸点: 74 · 74-77 °C(Press: 85 Torr)
比重(密度): 0.8792 g/cm3 · 0.8792 g/cm3
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 8.54 · 8.54±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.