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26546-99-6 | Phosphoric triamide, hexahexyl- (8CI,9CI)
CAS No: 26546-99-6 Catalog No: AG002TNV MDL No:
Product Description
Catalog Number:
AG002TNV
Chemical Name:
Phosphoric triamide, hexahexyl- (8CI,9CI)
CAS Number:
26546-99-6
Molecular Formula:
C36H78N3OP
Molecular Weight:
599.9978
IUPAC Name:
N-bis(dihexylamino)phosphoryl-N-hexylhexan-1-amine
InChI:
InChI=1S/C36H78N3OP/c1-7-13-19-25-31-37(32-26-20-14-8-2)41(40,38(33-27-21-15-9-3)34-28-22-16-10-4)39(35-29-23-17-11-5)36-30-24-18-12-6/h7-36H2,1-6H3
InChI Key:
KRGNXJUCIYWFMG-UHFFFAOYSA-N
SMILES:
CCCCCCN(P(=O)(N(CCCCCC)CCCCCC)N(CCCCCC)CCCCCC)CCCCCC
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
599.588g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
600.014g/mol
Monoisotopic Mass:
599.588g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.1
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