2-[Methyl(prop-2-yn-1-yl)amino]ethan-1-ol

HCID 287929

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基本情報

CAS: 13105-72-1
標準SMILES: C#CCN(C)CCO
InChIKey: FKPAVGPHHCZBEB-UHFFFAOYSA-N
分子式: C6H11NO
平均分子量: 113.16 g/mol
単同位体質量: 113.08406397

名称と識別子

優先名称: 2-[Methyl(prop-2-yn-1-yl)amino]ethan-1-ol
IUPAC: 2-[methyl(prop-2-ynyl)amino]ethanol
英語名: Ethanol,2-(methyl-2-propyn-1-ylamino)-
分子式: C6H11NO
分子量: 113.16

名称と別名

2-[methyl(prop-2-yn-1-yl)amino]ethan-1-ol2-(Methyl(prop-2-yn-1-yl)amino)ethan-1-olDTXSID50302041RefChem:462717DTXCID00253175845-125-913105-72-1MFCD146314772-[methyl(prop-2-ynyl)amino]ethanolEthanol, 2-(methyl-2-propyn-1-ylamino)-2-[methyl(prop-2-yn-1-yl)amino]ethanol2-(N-methyl-N-prop-2-yn-1-ylamino)ethanol

名称をさらに表示

2-(N-methyl-N-(prop-2-ynyl)amino)ethanol2-[METHYL(PROP-2-YN-1-YL)AMINO]ETHAN-1-OL(WXC08392)

NSC148221Ethanol,2-(methyl-2-propyn-1-ylamino)-SCHEMBL667715SCHEMBL4499970FKPAVGPHHCZBEB-UHFFFAOYSA-N2-(N-Methyl-N-propargylamino)ethanolAKOS0052167822-(Methyl-2-propyn-1-ylamino)ethanol

データベース識別子

CAS: 13105-72-1
PubChem CID: 287929
DTXSID: DTXSID50302041
EC Number: 845-125-9

物性

構造計算による物性

XLogP: -0.3
極性表面積: 23.5 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: 8
形式電荷: 0
複雑度: 91.9

物理化学的性質

沸点: 86 · 86-89 °C(Press: 21 Torr)
比重(密度): 0.974 · 0.974±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 14.61 · 14.61±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, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.