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7226-63-3 | 2-acetamido-3-(3H-imidazol-4-yl)-N-methyl-propanamide
CAS No: 7226-63-3 Catalog No: AG005UKF MDL No:
Product Description
Catalog Number:
AG005UKF
Chemical Name:
2-acetamido-3-(3H-imidazol-4-yl)-N-methyl-propanamide
CAS Number:
7226-63-3
Molecular Formula:
C9H14N4O2
Molecular Weight:
210.2331
IUPAC Name:
2-acetamido-3-(1H-imidazol-5-yl)-N-methylpropanamide
InChI:
InChI=1S/C9H14N4O2/c1-6(14)13-8(9(15)10-2)3-7-4-11-5-12-7/h4-5,8H,3H2,1-2H3,(H,10,15)(H,11,12)(H,13,14)
InChI Key:
XWLRQKZOVSBKSE-UHFFFAOYSA-N
SMILES:
CNC(=O)C(Cc1cnc[nH]1)NC(=O)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.237g/mol
Monoisotopic Mass:
210.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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