CAS 879-12-9 | 5-pyrimidinecarboxamide, 2-(dimethylamino)- | CAS Number 879-12-9

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879-12-9 | 5-pyrimidinecarboxamide, 2-(dimethylamino)-

CAS No: 879-12-9 Catalog No: AG004FF2 MDL No:

Product Description

Catalog Number:

AG004FF2

Chemical Name:

5-pyrimidinecarboxamide, 2-(dimethylamino)-

CAS Number:

879-12-9

Molecular Formula:

C7H10N4O

Molecular Weight:

166.1805

IUPAC Name:

1,2,3-trimethylnaphthalene

InChI:

InChI=1S/C13H14/c1-9-8-12-6-4-5-7-13(12)11(3)10(9)2/h4-8H,1-3H3

InChI Key:

RQHPYGROUIBUSW-UHFFFAOYSA-N

SMILES:

CN(c1ncc(cn1)C(=O)N)C

EC Number:

212-902-3

Properties

Complexity:

173

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.255g/mol

Monoisotopic Mass:

170.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7

Literature

Title	Journal
The electronic properties of trimethylnaphthalenes as properties for the prediction of biodegradation rates: ab initio and DFT study.	Chemosphere 20120601
Pyrene fate affected by humic acid amendment in soil slurry systems.	Journal of biological engineering 20080101
Humic acid enhanced remediation of an emplaced diesel source in groundwater. 2. Numerical model development and application.	Journal of contaminant hydrology 20020201