200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 88996-62-7
88996-62-7 | Butanamide, N-[2-(1H-imidazol-4-yl)ethyl]-3-oxo-
CAS No: 88996-62-7 Catalog No: AG00455P MDL No:
Product Description
Catalog Number:
AG00455P
Chemical Name:
Butanamide, N-[2-(1H-imidazol-4-yl)ethyl]-3-oxo-
CAS Number:
88996-62-7
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
N-[2-(1H-imidazol-5-yl)ethyl]-3-oxobutanamide
InChI:
InChI=1S/C9H13N3O2/c1-7(13)4-9(14)11-3-2-8-5-10-6-12-8/h5-6H,2-4H2,1H3,(H,10,12)(H,11,14)
InChI Key:
HJBNPEPQEBOOJT-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)NCCc1c[nH]cn1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.