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72804-96-7 molecular structure
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amino diphenylphosphinate

ChemBase ID: 70726
Molecular Formular: C12H12NO2P
Molecular Mass: 233.202941
Monoisotopic Mass: 233.06056526
SMILES and InChIs

SMILES:
NOP(=O)(c1ccccc1)c1ccccc1
Canonical SMILES:
NOP(=O)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C12H12NO2P/c13-15-16(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13H2
InChIKey:
SJECIYLGISUNRO-UHFFFAOYSA-N

Cite this record

CBID:70726 http://www.chembase.cn/molecule-70726.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
amino diphenylphosphinate
IUPAC Traditional name
amino diphenylphosphinate
Synonyms
O-Diphenylphosphinylhydroxylamine
(AMinooxy)diphenylphosphine oxide
CAS Number
72804-96-7
MDL Number
MFCD12755701
PubChem SID
162036439
PubChem CID
10955453

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0836616  LogD (pH = 7.4) 3.0853782 
Log P 3.0854  Molar Refractivity 64.2258 cm3
Polarizability 25.358276 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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