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89504-64-3 | Phosphonic acid, [4-(phenylmethyl)-1-piperazinyl]-, dimethyl ester
CAS No: 89504-64-3 Catalog No: AG00415P MDL No:
Product Description
Catalog Number:
AG00415P
Chemical Name:
Phosphonic acid, [4-(phenylmethyl)-1-piperazinyl]-, dimethyl ester
CAS Number:
89504-64-3
Molecular Formula:
C13H21N2O3P
Molecular Weight:
284.2912
IUPAC Name:
1-benzyl-4-dimethoxyphosphorylpiperazine
InChI:
InChI=1S/C13H21N2O3P/c1-17-19(16,18-2)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChI Key:
GNWTWDCSGGTGTD-UHFFFAOYSA-N
SMILES:
COP(=O)(N1CCN(CC1)Cc1ccccc1)OC
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.296g/mol
Monoisotopic Mass:
284.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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