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2-[bis(3R,5S,7s)-adamantan-1-ylphosphanyl]-N,N-dimethylaniline
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ChemBase ID:
136658
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Molecular Formular:
C28H40NP
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Molecular Mass:
421.597661
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Monoisotopic Mass:
421.28983692
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SMILES and InChIs
SMILES:
CN(c1c(cccc1)P([C@@]12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C2)C3)C
Canonical SMILES:
CN(c1ccccc1P([C@]12C[C@@H]3C[C@@H](C2)C[C@@H](C1)C3)[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C
InChI:
InChI=1S/C28H40NP/c1-29(2)25-5-3-4-6-26(25)30(27-13-19-7-20(14-27)9-21(8-19)15-27)28-16-22-10-23(17-28)12-24(11-22)18-28/h3-6,19-24H,7-18H2,1-2H3/t19-,20+,21-,22-,23+,24-,27-,28-
InChIKey:
MILNYLCUWRWYBI-XMCXLQRDSA-N
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Cite this record
CBID:136658 http://www.chembase.cn/molecule-136658.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[bis(3R,5S,7s)-adamantan-1-ylphosphanyl]-N,N-dimethylaniline
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IUPAC Traditional name
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2-[bis(3R,5S,7s)-adamantan-1-ylphosphanyl]-N,N-dimethylaniline
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Synonyms
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2-(Di-1-adamantylphosphino)-N,N-dimethylaniline
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2-(Di-1-adamantylphosphino)dimethylaminobenzene
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2-[Bis(tricyclo[3.3.1.13,7]dec-1-yl)phosphino]-N,N-dimethylbenzeneamine
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Me-Dalphos
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Di(1-adamantyl)-2-dimethylaminophenylphosphine
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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1
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H Donor
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0
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LogD (pH = 5.5)
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5.1723638
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LogD (pH = 7.4)
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5.230045
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Log P
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5.4458
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Molar Refractivity
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127.7299 cm3
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Polarizability
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50.370964 Å3
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Polar Surface Area
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3.24 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent