Home Carboxys 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid hydrate

2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid hydrate

CAS No.:
1052402-84-2
Catalog Number:
AG00J08X
Molecular Formula:
C9H16N4O3
Molecular Weight:
228.2483
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Product Description
Catalog Number:
AG00J08X
Chemical Name:
2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid hydrate
CAS Number:
1052402-84-2
Molecular Formula:
C9H16N4O3
Molecular Weight:
228.2483
MDL Number:
MFCD01568143
IUPAC Name:
2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid;hydrate
InChI:
InChI=1S/C9H14N4O2.H2O/c1-12(2)7-5-6(8(14)15)10-9(11-7)13(3)4;/h5H,1-4H3,(H,14,15);1H2
InChI Key:
AGUZKYPFNAVYFD-UHFFFAOYSA-N
SMILES:
CN(c1nc(nc(c1)C(=O)O)N(C)C)C.O
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.122g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.252g/mol
Monoisotopic Mass:
228.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties