CAS 174758-63-5 (1R,2R)-N1,N2-Bis(2-(diphenylphosphino)benzyl)cyclohexane-1,2-diamine (HCID 10909155)

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Basic information

CAS: 174758-63-5
Standard SMILES: c1ccc(P(c2ccccc2)c2ccccc2CN[C@@H]2CCCC[C@H]2NCc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIKey: OBHPYVNBXWUKNY-NCRNUEESSA-N
Molecular formula: C44H44N2P2
Average molar mass: 662.8 g/mol
Monoisotopic mass: 662.29797267

Names & identifiers

Preferred name: (1R,2R)-N1,N2-Bis(2-(diphenylphosphino)benzyl)cyclohexane-1,2-diamine
IUPAC: trans-(1R,2R)-1-N,2-N-bis[(2-diphenylphosphanylphenyl)methyl]cyclohexane-1,2-diamine
English name: (1R,2R)-N,N′-Bis[2-(diphenylphosphino)benzyl]cyclohexane-1,2-diamine
Molecular formula: C44H44N2P2
Molecular weight: 662.78

Names & synonyms

174758-63-5(1R,2R)-N1,N2-Bis(2-(diphenylphosphino)benzyl)cyclohexane-1,2-diamine(1R,2R)-N,N'-bis[2-(diphenylphosphino)benzyl]cyclohexane-1,2-diamineMFCD16618374(1R,2R)-1-N,2-N-bis[(2-diphenylphosphanylphenyl)methyl]cyclohexane-1,2-diamine(1R,2R)-N1,N2-Bis(2-(diphenylphosphino)-benzyl)cyclohexane-1,2-diamineC44H44N2P2(1R,2R)-N1,N2-Bis[2-(diphenylphosphino)benzyl]cyclohexane-1,2-diamineOBHPYVNBXWUKNY-NCRNUEESSA-NSCHEMBL1600508SCHEMBL31568157DTXSID60447912

Show more names

(1R,2R)-N,N′-BIS[2-(DIPHENYLPHOSPHINO)BENZYL]CYCLOHEXANE-1,2-DIAMIN(1R,2R)-N,N′-Bis[2-(diphenylphosphino)benzyl]cyclohexane-1,2-diamine(1R,2R)-N,N-Bis[2-(diphenylphosphino)benzyl]cyclohexane-1,2-diamine,97%(1R,2R)-N1,N2-bis(2-(diphenylphosphaneyl)benzyl)cyclohexane-1,2-diamineR,R-N,N'-bis[[2-(diphenylphosphino) phenyl]Methyl]-1,2-CyclohexanediaMine(1R,2R)-N,N-BIS[2-(DIPHENYLPHOSPHINO)BENZYL]CYCLOHEXANE-1,2-DIAMINE,MIN.97%

Properties

Computed structural properties

XLogP: 9.1
Topological polar surface area: 24.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 12
Heavy atoms: 48
Formal charge: 0
Complexity: 780

Physicochemical properties

Melting point: 300 °C · >300°C
Boiling point: 749.8 · 749.8±60.0 °C(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.75 · 9.75±0.40(Predicted)
form: solid
color: yellow
optical activity: 22 · [α]22/D 17.5°, c = 0.5 in chloroform
Sensitive: air sensitive
InChIKey: OBHPYVNBXWUKNY-NCRNUEESSA-N
SMILES: C1CC[C@@H](NCc2ccccc2P(c3ccccc3)c4ccccc4)[C@@H](C1)NCc5ccccc5P(c6ccccc6)c7ccccc7
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338