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349100-75-0 | P,P′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N′,N′-tetraethyl-phosphonous diamide]
CAS No: 349100-75-0 Catalog No: AG003TJ5 MDL No:MFCD13182459
Product Description
Catalog Number:
AG003TJ5
Chemical Name:
P,P′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N′,N′-tetraethyl-phosphonous diamide]
CAS Number:
349100-75-0
Molecular Formula:
C31H52N4OP2
Molecular Weight:
558.7183
MDL Number:
MFCD13182459
IUPAC Name:
N-[[5-[bis(diethylamino)phosphanyl]-9,9-dimethylxanthen-4-yl]-(diethylamino)phosphanyl]-N-ethylethanamine
InChI:
InChI=1S/C31H52N4OP2/c1-11-32(12-2)37(33(13-3)14-4)27-23-19-21-25-29(27)36-30-26(31(25,9)10)22-20-24-28(30)38(34(15-5)16-6)35(17-7)18-8/h19-24H,11-18H2,1-10H3
InChI Key:
APRIDPKHBSWSHQ-UHFFFAOYSA-N
SMILES:
CCN(P(c1cccc2c1Oc1c(cccc1C2(C)C)P(N(CC)CC)N(CC)CC)N(CC)CC)CC
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.362g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.732g/mol
Monoisotopic Mass:
558.362g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
22.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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