200,000+ products from a single source!
sales@angenechem.com
828940-68-7 | 4-Isoxazolecarboxamide, N-(1-cyano-1,2-dimethylpropyl)-5-methyl-
CAS No: 828940-68-7 Catalog No: AG008HRR MDL No:
Product Description
Catalog Number:
AG008HRR
Chemical Name:
4-Isoxazolecarboxamide, N-(1-cyano-1,2-dimethylpropyl)-5-methyl-
CAS Number:
828940-68-7
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
IUPAC Name:
N-(2-cyano-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C11H15N3O2/c1-7(2)11(4,6-12)14-10(15)9-5-13-16-8(9)3/h5,7H,1-4H3,(H,14,15)
InChI Key:
KIEDOHHFMPEVRX-UHFFFAOYSA-N
SMILES:
N#CC(C(C)C)(NC(=O)c1cnoc1C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.