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89504-57-4 | Phosphonic acid, [4-(cyclopropylmethyl)-1-piperazinyl]-, dimethyl ester
CAS No: 89504-57-4 Catalog No: AG00415R MDL No:
Product Description
Catalog Number:
AG00415R
Chemical Name:
Phosphonic acid, [4-(cyclopropylmethyl)-1-piperazinyl]-, dimethyl ester
CAS Number:
89504-57-4
Molecular Formula:
C10H21N2O3P
Molecular Weight:
248.2591
IUPAC Name:
1-(cyclopropylmethyl)-4-dimethoxyphosphorylpiperazine
InChI:
InChI=1S/C10H21N2O3P/c1-14-16(13,15-2)12-7-5-11(6-8-12)9-10-3-4-10/h10H,3-9H2,1-2H3
InChI Key:
HZNIHPFXMGHKNY-UHFFFAOYSA-N
SMILES:
COP(=O)(N1CCN(CC1)CC1CC1)OC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.129g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.263g/mol
Monoisotopic Mass:
248.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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