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100419-57-6 | Phosphonic acid, [2-(dibutylamino)-2-oxoethyl]-, bis(3-methylbutyl) ester (9CI)
CAS No: 100419-57-6 Catalog No: AG0001Y4 MDL No:
Product Description
Catalog Number:
AG0001Y4
Chemical Name:
Phosphonic acid, [2-(dibutylamino)-2-oxoethyl]-, bis(3-methylbutyl) ester (9CI)
CAS Number:
100419-57-6
Molecular Formula:
C20H42NO4P
Molecular Weight:
391.5255
IUPAC Name:
2-[bis(3-methylbutoxy)phosphoryl]-N,N-dibutylacetamide
InChI:
InChI=1S/C20H42NO4P/c1-7-9-13-21(14-10-8-2)20(22)17-26(23,24-15-11-18(3)4)25-16-12-19(5)6/h18-19H,7-17H2,1-6H3
InChI Key:
JSUAPLJGSICKTO-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)CP(=O)(OCCC(C)C)OCCC(C)C)CCCC
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.285g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.533g/mol
Monoisotopic Mass:
391.285g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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