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13824-04-9 | 1,3,2,4-Diazadiphosphetidine-2,4-diamine, N,N',1,3-tetraphenyl-, 2,4-dioxide (9CI)
CAS No: 13824-04-9 Catalog No: AG0018D8 MDL No:
Product Description
Catalog Number:
AG0018D8
Chemical Name:
1,3,2,4-Diazadiphosphetidine-2,4-diamine, N,N',1,3-tetraphenyl-, 2,4-dioxide (9CI)
CAS Number:
13824-04-9
Molecular Formula:
C24H22N4O2P2
Molecular Weight:
460.4046
IUPAC Name:
2,4-dioxo-2-N,4-N,1,3-tetraphenyl-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine
InChI:
InChI=1S/C24H22N4O2P2/c29-31(25-21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)32(30,26-22-15-7-2-8-16-22)28(31)24-19-11-4-12-20-24/h1-20H,(H,25,29)(H,26,30)
InChI Key:
OKYVWDASQAVFMV-UHFFFAOYSA-N
SMILES:
O=P1(Nc2ccccc2)N(c2ccccc2)P(=O)(N1c1ccccc1)Nc1ccccc1
EC Number:
237-517-8
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.122g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
460.414g/mol
Monoisotopic Mass:
460.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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