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2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid

CAS No.:
180283-68-5
Catalog Number:
AG0021V5
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
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Product Description
Catalog Number:
AG0021V5
Chemical Name:
2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid
CAS Number:
180283-68-5
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD02942406
IUPAC Name:
2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H11N3O2/c1-5-6(7(12)13)4-9-8(10-5)11(2)3/h4H,1-3H3,(H,12,13)
InChI Key:
VPJJRVRVZCLDGF-UHFFFAOYSA-N
SMILES:
CN(c1ncc(c(n1)C)C(=O)O)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties