200,000+ products from a single source!
sales@angenechem.com
825638-17-3 | 3-Pyridinecarbonitrile, 4-[4-(dimethylamino)phenyl]-1,6-dihydro-6-oxo-
CAS No: 825638-17-3 Catalog No: AG005CT3 MDL No:
Product Description
Catalog Number:
AG005CT3
Chemical Name:
3-Pyridinecarbonitrile, 4-[4-(dimethylamino)phenyl]-1,6-dihydro-6-oxo-
CAS Number:
825638-17-3
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C14H13N3O/c1-17(2)12-5-3-10(4-6-12)13-7-14(18)16-9-11(13)8-15/h3-7,9H,1-2H3,(H,16,18)
InChI Key:
ZJGXNQOMULLZNM-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c(=O)cc1c1ccc(cc1)N(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.