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164535-24-4 | 1H-Imidazole-4-carboxylic acid, 5-amino-2-propyl-, ethyl ester
CAS No: 164535-24-4 Catalog No: AG001UXJ MDL No:
Product Description
Catalog Number:
AG001UXJ
Chemical Name:
1H-Imidazole-4-carboxylic acid, 5-amino-2-propyl-, ethyl ester
CAS Number:
164535-24-4
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
IUPAC Name:
ethyl 4-amino-2-propyl-1H-imidazole-5-carboxylate
InChI:
InChI=1S/C9H15N3O2/c1-3-5-6-11-7(8(10)12-6)9(13)14-4-2/h3-5,10H2,1-2H3,(H,11,12)
InChI Key:
ZFYZXVPRXLUXSG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc([nH]c1N)CCC
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.238g/mol
Monoisotopic Mass:
197.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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