Name: 1-Dimethylamino-2-methylpentan-3-one - ≥95% , CAS No.51690-03-0
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Beta-amino ketones
Alternative Parents	Trialkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Beta-aminoketone - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the beta carbon atom, relative to the C=O group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	143.230 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	143.131 Da
Monoisotopic Mass	143.131 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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Reviews

Canonical Smiles	CCC(=O)C(C)CN(C)C
IUPAC Name	1-(dimethylamino)-2-methylpentan-3-one
InChIKey	QVWGKOYVOZJNRJ-UHFFFAOYSA-N
INCHI	1S/C8H17NO/c1-5-8(10)7(2)6-9(3)4/h7H,5-6H2,1-4H3
Isomeric SMILES	CCC(=O)C(C)CN(C)C
Molecular Weight	143.2
Reaxy-Rn	1749391
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749391&ln=

1-Dimethylamino-2-methylpentan-3-one - ≥95% , CAS No.51690-03-0

Specifications