1-(2-プロペニル)-2-ピロリジンメタンアミン

1-(Allyl)pyrrolidine-2-methylamine

HCID 117296CAS 26116-13-2

部分構造検索類似構造を探す

基本情報

標準SMILES: C=CCN1CCCC1CN
InChIKey: HTGKTSVPJJNEMQ-UHFFFAOYSA-N
分子式: C8H16N2
平均分子量: 140.23 g/mol
単同位体質量: 140.13134852

名称と識別子

優先名称: 1-(Allyl)pyrrolidine-2-methylamine
IUPAC: (1-prop-2-enylpyrrolidin-2-yl)methanamine
現地名: 1-(2-プロペニル)-2-ピロリジンメタンアミン
英語名: 1-(allyl)pyrrolidine-2-methylamine
分子式: C8H16N2
分子量: 140.23

名称と別名

1-(Allyl)pyrrolidine-2-methylamineEINECS 247-467-9RefChem:426935247-467-9(1-Allylpyrrolidin-2-yl)methanamine26116-13-2(1-prop-2-enylpyrrolidin-2-yl)methanamine66411-51-61-Allyl-2-(aminomethyl)pyrrolidineMFCD013175592-Pyrrolidinemethanamine, 1-(2-propen-1-yl)-N-Allyl-2-(aminomethyl)pyrrolidne

名称をさらに表示

1-(2-プロペニル)-2-ピロリジンメタンアミン1-[1-(プロパ-2-エン-1-イル)ピロリジン-2-イル]メタンアミンALLYL-1-AMINOMETHYLPYRROLIDINE1-(2-Propenyl)-2-pyrrolidinemethanamine

(S)-1-Allyl-2-Aminomethylpyrrolidine1-[1-(PROP-2-EN-1-YL)PYRROLIDIN-2-YL]METHANAMINESCHEMBL5804458SCHEMBL11445454DTXSID809490041-allyl-2-aminomethyl-pyrrolidineAKOS011670902FS-5993

データベース識別子

CAS: 26116-13-2
PubChem CID: 117296
DTXSID: DTXSID80949004
EC Number: 247-467-9
Nikkaji: J308.390J

物性

構造計算による物性

XLogP: 0.5
極性表面積: 29.3 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: 10
形式電荷: 0
複雑度: 112

物理化学的性質

沸点: 194.6 · 194.6±13.0 °C(Predicted)
比重(密度): 0.912 · 0.912±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 9.91 · 9.91±0.29(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]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.