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89095-27-2 | Phosphinic acid, methyl[2-(3-pyridinyl)-1-piperidinyl]-, pentyl ester
CAS No: 89095-27-2 Catalog No: AG003ZYU MDL No:
Product Description
Catalog Number:
AG003ZYU
Chemical Name:
Phosphinic acid, methyl[2-(3-pyridinyl)-1-piperidinyl]-, pentyl ester
CAS Number:
89095-27-2
Molecular Formula:
C16H27N2O2P
Molecular Weight:
310.3715
IUPAC Name:
3-[1-[methyl(pentoxy)phosphoryl]piperidin-2-yl]pyridine
InChI:
InChI=1S/C16H27N2O2P/c1-3-4-7-13-20-21(2,19)18-12-6-5-10-16(18)15-9-8-11-17-14-15/h8-9,11,14,16H,3-7,10,12-13H2,1-2H3
InChI Key:
JTGCVGMTVNDMLH-UHFFFAOYSA-N
SMILES:
CCCCCOP(=O)(N1CCCCC1c1cccnc1)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.181g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.378g/mol
Monoisotopic Mass:
310.181g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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