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

HCID 3048729

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 51690-03-0
Standard SMILES: CCC(=O)C(C)CN(C)C
InChIKey: QVWGKOYVOZJNRJ-UHFFFAOYSA-N
Molecular formula: C8H17NO
Average molar mass: 143.23 g/mol
Monoisotopic mass: 143.13101417

Names & identifiers

Preferred name: 1-(Dimethylamino)-2-methyl-3-pentanone
IUPAC: 1-(dimethylamino)-2-methylpentan-3-one
English name: 1-Dimethylamino-2-methylpentan-3-one
Molecular formula: C8H17NO
Molecular weight: 143.23

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Boiling point: 59 · 59-61 °C(Press: 10 Torr)
Density: 0.8579 g/cm3 · 0.8579 g/cm3
storage temp.: 2 · 2-8°C
pka: 8.83 · 8.83±0.28(Predicted)
CAS DataBase Reference: 51690 · 51690-03-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2922390090 · 2922390090

Safety & regulation

GHS classification

GHS Classification · 3 items

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.