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89504-60-9 | Phosphonic acid, (4-cycloheptyl-1-piperazinyl)-, dimethyl ester
CAS No: 89504-60-9 Catalog No: AG0041F3 MDL No:
Product Description
Catalog Number:
AG0041F3
Chemical Name:
Phosphonic acid, (4-cycloheptyl-1-piperazinyl)-, dimethyl ester
CAS Number:
89504-60-9
Molecular Formula:
C13H27N2O3P
Molecular Weight:
290.3388
IUPAC Name:
1-cycloheptyl-4-dimethoxyphosphorylpiperazine
InChI:
InChI=1S/C13H27N2O3P/c1-17-19(16,18-2)15-11-9-14(10-12-15)13-7-5-3-4-6-8-13/h13H,3-12H2,1-2H3
InChI Key:
JBZWAKQYLLKECX-UHFFFAOYSA-N
SMILES:
COP(=O)(N1CCN(CC1)C1CCCCCC1)OC
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.176g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.344g/mol
Monoisotopic Mass:
290.176g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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