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89095-29-4 | Phosphinic acid, methyl[2-(3-pyridinyl)-1-piperidinyl]-, heptyl ester
CAS No: 89095-29-4 Catalog No: AG003YKO MDL No:
Product Description
Catalog Number:
AG003YKO
Chemical Name:
Phosphinic acid, methyl[2-(3-pyridinyl)-1-piperidinyl]-, heptyl ester
CAS Number:
89095-29-4
Molecular Formula:
C18H31N2O2P
Molecular Weight:
338.4247
IUPAC Name:
3-[1-[heptoxy(methyl)phosphoryl]piperidin-2-yl]pyridine
InChI:
InChI=1S/C18H31N2O2P/c1-3-4-5-6-9-15-22-23(2,21)20-14-8-7-12-18(20)17-11-10-13-19-16-17/h10-11,13,16,18H,3-9,12,14-15H2,1-2H3
InChI Key:
UPHQADRLTXTBND-UHFFFAOYSA-N
SMILES:
CCCCCCCOP(=O)(N1CCCCC1c1cccnc1)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.212g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.432g/mol
Monoisotopic Mass:
338.212g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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