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756476-79-6 | 2-(AMINOMETHYL)-1,5-DIMETHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID
CAS No: 756476-79-6 Catalog No: AG005J19 MDL No:
Product Description
Catalog Number:
AG005J19
Chemical Name:
2-(AMINOMETHYL)-1,5-DIMETHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID
CAS Number:
756476-79-6
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
IUPAC Name:
2-(aminomethyl)-1,5-dimethylimidazole-4-carboxylic acid
InChI:
InChI=1S/C7H11N3O2/c1-4-6(7(11)12)9-5(3-8)10(4)2/h3,8H2,1-2H3,(H,11,12)
InChI Key:
FBZNFCOAYAXCCV-UHFFFAOYSA-N
SMILES:
NCc1nc(c(n1C)C)C(=O)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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