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2964-23-0 | 3-Pyridinecarboxamide, N-(1-methyl-2-phenylethyl)-, phosphate (1:2)
CAS No: 2964-23-0 Catalog No: AG002YYX MDL No:
Product Description
Catalog Number:
AG002YYX
Chemical Name:
3-Pyridinecarboxamide, N-(1-methyl-2-phenylethyl)-, phosphate (1:2)
CAS Number:
2964-23-0
Molecular Formula:
C15H22N2O9P2
Molecular Weight:
436.2907
IUPAC Name:
N-(1-phenylpropan-2-yl)pyridine-3-carboxamide;phosphoric acid
InChI:
InChI=1S/C15H16N2O.2H3O4P/c1-12(10-13-6-3-2-4-7-13)17-15(18)14-8-5-9-16-11-14;2*1-5(2,3)4/h2-9,11-12H,10H2,1H3,(H,17,18);2*(H3,1,2,3,4)
InChI Key:
ZDZWSXDFNBHJFZ-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.OP(=O)(O)O.CC(NC(=O)c1cccnc1)Cc1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.08g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
436.294g/mol
Monoisotopic Mass:
436.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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