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N1,N2-bis(2-(diphenylphosphino)benzyl)cyclohexane-1,2-diamine

HCID 12075083
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Basic information

CAS
1086138-41-1
Standard SMILES
c1ccc(P(c2ccccc2)c2ccccc2CNC2CCCCC2NCc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIKey
OBHPYVNBXWUKNY-UHFFFAOYSA-N
Molecular formula
C44H44N2P2
Average molar mass
662.8 g/mol
Monoisotopic mass
662.29797341

Names & identifiers

Preferred name
N1,N2-bis(2-(diphenylphosphino)benzyl)cyclohexane-1,2-diamine
IUPAC
1-N,2-N-bis[(2-diphenylphosphanylphenyl)methyl]cyclohexane-1,2-diamine

Names & synonyms

1086138-41-1C44H44N2P2SCHEMBL3628810OBHPYVNBXWUKNY-UHFFFAOYSA-NDTXSID101156645N1,N2-bis(2-(diphenylphosphino)benzyl)cyclohexane-1,2-diamineN1,N2-bis[(2-diphenylphosphanylphenyl)methyl]cyclohexane-1,2-diamineN1,N2-Bis[[2-(diphenylphosphino)phenyl]methyl]-1,2-cyclohexanediamineN~1~,N~2~-Bis{[2-(diphenylphosphanyl)phenyl]methyl}cyclohexane-1,2-diamine

Database identifiers

CAS
1086138-41-1
PubChem CID
12075083
DTXSID
DTXSID101156645
Nikkaji
J1.707.619A

Properties

Computed structural properties

XLogP
9.1
Topological polar surface area
24.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
12
Heavy atoms
48
Formal charge
0
Complexity
780

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Related reactions

2 records
New reaction record
HRID 700181 reaction equation
HRID 700181As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1895833 reaction equation
HRID 1895833As productuspto-grants-2013_08

Compound notes

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