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876930-55-1 | Phosphonic acid, [(butyloctylamino)methyl]-, bis(2-ethylhexyl) ester
CAS No: 876930-55-1 Catalog No: AG004NS5 MDL No:
Product Description
Catalog Number:
AG004NS5
Chemical Name:
Phosphonic acid, [(butyloctylamino)methyl]-, bis(2-ethylhexyl) ester
CAS Number:
876930-55-1
Molecular Formula:
C29H62NO3P
Molecular Weight:
503.7812
IUPAC Name:
N-[bis(2-ethylhexoxy)phosphorylmethyl]-N-butyloctan-1-amine
InChI:
InChI=1S/C29H62NO3P/c1-7-13-17-18-19-20-24-30(23-16-10-4)27-34(31,32-25-28(11-5)21-14-8-2)33-26-29(12-6)22-15-9-3/h28-29H,7-27H2,1-6H3
InChI Key:
DIHPYLCMJJPZDH-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(CP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CCCC
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.447g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
503.793g/mol
Monoisotopic Mass:
503.447g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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