Home Carboxys 1H-Imidazole-2-carboxylic acid, 4-amino-1-methyl-, methyl ester

1H-Imidazole-2-carboxylic acid, 4-amino-1-methyl-, methyl ester

CAS No.:
162085-97-4
Catalog Number:
AG001SQ7
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
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Product Description
Catalog Number:
AG001SQ7
Chemical Name:
1H-Imidazole-2-carboxylic acid, 4-amino-1-methyl-, methyl ester
CAS Number:
162085-97-4
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD08275079
IUPAC Name:
methyl 4-amino-1-methylimidazole-2-carboxylate
InChI:
InChI=1S/C6H9N3O2/c1-9-3-4(7)8-5(9)6(10)11-2/h3H,7H2,1-2H3
InChI Key:
UCYTVNRGWWHESF-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1C(=O)OC)N
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties