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296775-92-3 | Phosphonic acid, P-(4-aminobutyl)-, diethyl ester, ethanedioate (1:1)
CAS No: 296775-92-3 Catalog No: AG002Z2S MDL No:MFCD00800258
Product Description
Catalog Number:
AG002Z2S
Chemical Name:
Phosphonic acid, P-(4-aminobutyl)-, diethyl ester, ethanedioate (1:1)
CAS Number:
296775-92-3
Molecular Formula:
C10H22NO7P
Molecular Weight:
299.2579
MDL Number:
MFCD00800258
IUPAC Name:
4-diethoxyphosphorylbutan-1-amine;oxalic acid
InChI:
InChI=1S/C8H20NO3P.C2H2O4/c1-3-11-13(10,12-4-2)8-6-5-7-9;3-1(4)2(5)6/h3-9H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
YRLZCLQUARLFRX-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCCCCP(=O)(OCC)OCC
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.26g/mol
Monoisotopic Mass:
299.113g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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