CAS 2842-41-3 2-(Cyclohexylmethylamino)ethanol (HCID 277582)

基本情報

CAS: 2842-41-3
標準SMILES: CN(CCO)C1CCCCC1
InChIKey: DSDSZHUBHNTFNX-UHFFFAOYSA-N
分子式: C9H19NO
平均分子量: 157.25 g/mol
単同位体質量: 157.14666423

名称と識別子

優先名称: 2-(Cyclohexylmethylamino)ethanol
IUPAC: 2-[cyclohexyl(methyl)amino]ethanol
英語名: 3-[(cyclohexylmethyl)amino]propan-1-ol
分子式: C9H19NO
分子量: 157.25

名称と別名

2-[cyclohexyl(methyl)amino]ethan-1-ol2842-41-3DTXSID8013024232-(cyclohexyl(methyl)amino)ethan-1-olRefChem:460438DTXCID701732493867-947-72-(Cyclohexylmethylamino)ethanol2-[Cyclohexyl(methyl)amino]ethanolSCHEMBL803958SCHEMBL14719163N-Cyclohexyl-N-methyl-2-aminoethanol

名称をさらに表示

2-(N-cyclohexyl-N-methylamino)ethanol3-[(cyclohexylmethyl)amino]propan-1-ol

2-[Cyclohexyl(methyl)amino]ethanol #AKOS0090793682-[N-Methyl-N-cylcohexylamino]ethanolCS-0261157EN300-77370G37629Z159528828

データベース識別子

CAS: 2842-41-3
PubChem CID: 277582
DTXSID: DTXSID801302423
EC Number: 867-947-7

物性

構造計算による物性

XLogP: 1.4
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: 11
形式電荷: 0
複雑度: 99

物理化学的性質

沸点: 115 · 115-116 °C(Press: 13 Torr)
比重(密度): 0.9606 g/cm3 · 0.9606 g/cm3(Temp: 25 °C)
酸解離定数(Pka): 14.76 · 14.76±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.