1-(Dimethylamino)-2-methyl-3-pentanone

HCID 3048729

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 51690-03-0
標準SMILES: CCC(=O)C(C)CN(C)C
InChIKey: QVWGKOYVOZJNRJ-UHFFFAOYSA-N
分子式: C8H17NO
平均分子量: 143.23 g/mol
単同位体質量: 143.13101417

名称と識別子

優先名称: 1-(Dimethylamino)-2-methyl-3-pentanone
IUPAC: 1-(dimethylamino)-2-methylpentan-3-one
英語名: 1-Dimethylamino-2-methylpentan-3-one
分子式: C8H17NO
分子量: 143.23

名称と別名

1-(dimethylamino)-2-methyl-3-pentanoneRefChem:427713696-151-051690-03-01-(dimethylamino)-2-methylpentan-3-one1-dimethylamino-2-methylpentan-3-one(1-N,N-Dimethylamino)-2-methylpentan-3-one3-Pentanone, 1-(dimethylamino)-2-methyl-MFCD13185946(1-N,N-Dimethylamino)-2-methyl-pentan-3-one1-(dimethylamino)-2-methyl-pentan-3-oneSCHEMBL669860

名称をさらに表示

3-Pentanone,1-(diMethylaMino)-2-Methyl-

DTXSID60388851QVWGKOYVOZJNRJ-UHFFFAOYSA-N1-Dimethylamino-2-methylpentanon-3AKOS015842693DS-0887SB75672SY030561DB-027400

データベース識別子

CAS: 51690-03-0
PubChem CID: 3048729
DTXSID: DTXSID60388851
EC Number: 696-151-0
Nikkaji: J1.997.997K

物性

構造計算による物性

XLogP: 1
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

沸点: 59 · 59-61 °C(Press: 10 Torr)
比重(密度): 0.8579 g/cm3 · 0.8579 g/cm3
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 8.83 · 8.83±0.28(Predicted)
CAS データベース: 51690 · 51690-03-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.；There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s).；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.