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79692-46-9 | N-(5-DIETHYLAMINOPENTAN-2-YL)-6-DIMETHYLAMINO-PYRIDINE-3-CARBOXAMIDE; PHOSPHORIC ACID
CAS No: 79692-46-9 Catalog No: AG00579B MDL No:
Product Description
Catalog Number:
AG00579B
Chemical Name:
N-(5-DIETHYLAMINOPENTAN-2-YL)-6-DIMETHYLAMINO-PYRIDINE-3-CARBOXAMIDE; PHOSPHORIC ACID
CAS Number:
79692-46-9
Molecular Formula:
C17H33N4O5P
Molecular Weight:
404.4415
IUPAC Name:
N-[5-(diethylamino)pentan-2-yl]-6-(dimethylamino)pyridine-3-carboxamide;phosphoric acid
InChI:
InChI=1S/C17H30N4O.H3O4P/c1-6-21(7-2)12-8-9-14(3)19-17(22)15-10-11-16(18-13-15)20(4)5;1-5(2,3)4/h10-11,13-14H,6-9,12H2,1-5H3,(H,19,22);(H3,1,2,3,4)
InChI Key:
VXMSKURWTIICOK-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CCN(CCCC(NC(=O)c1ccc(nc1)N(C)C)C)CC
NSC Number:
224128
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.219g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
404.448g/mol
Monoisotopic Mass:
404.219g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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