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Home > Pyridines > 139722-88-6
139722-88-6 | Phosphonic acid, [2-(3-pyridinyl)-1-piperidinyl]-, bis(1-methylethyl) ester (9CI)
CAS No: 139722-88-6 Catalog No: AG001BM0 MDL No:
Product Description
Catalog Number:
AG001BM0
Chemical Name:
Phosphonic acid, [2-(3-pyridinyl)-1-piperidinyl]-, bis(1-methylethyl) ester (9CI)
CAS Number:
139722-88-6
Molecular Formula:
C16H27N2O3P
Molecular Weight:
326.3709
IUPAC Name:
3-[1-di(propan-2-yloxy)phosphorylpiperidin-2-yl]pyridine
InChI:
InChI=1S/C16H27N2O3P/c1-13(2)20-22(19,21-14(3)4)18-11-6-5-9-16(18)15-8-7-10-17-12-15/h7-8,10,12-14,16H,5-6,9,11H2,1-4H3
InChI Key:
QYOVISDWPAYKFB-UHFFFAOYSA-N
SMILES:
CC(OP(=O)(N1CCCCC1c1cccnc1)OC(C)C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.176g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.377g/mol
Monoisotopic Mass:
326.176g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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