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807290-22-8 | 1H-Imidazole-5-butanamide
CAS No: 807290-22-8 Catalog No: AG008M50 MDL No:
Product Description
Catalog Number:
AG008M50
Chemical Name:
1H-Imidazole-5-butanamide
CAS Number:
807290-22-8
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
IUPAC Name:
4-(1H-imidazol-5-yl)butanamide
InChI:
InChI=1S/C7H11N3O/c8-7(11)3-1-2-6-4-9-5-10-6/h4-5H,1-3H2,(H2,8,11)(H,9,10)
InChI Key:
AKZSBPXLCAAWJU-UHFFFAOYSA-N
SMILES:
NC(=O)CCCc1cnc[nH]1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.185g/mol
Monoisotopic Mass:
153.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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