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2511-17-3 molecular structure
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[(dimethylamino)(methyl)phosphoryl]dimethylamine

ChemBase ID: 301877
Molecular Formular: C5H15N2OP
Molecular Mass: 150.159161
Monoisotopic Mass: 150.09219974
SMILES and InChIs

SMILES:
CN(C)P(=O)(C)N(C)C
Canonical SMILES:
CN(P(=O)(N(C)C)C)C
InChI:
InChI=1S/C5H15N2OP/c1-6(2)9(5,8)7(3)4/h1-5H3
InChIKey:
YRWJRJCUZYGLPN-UHFFFAOYSA-N

Cite this record

CBID:301877 http://www.chembase.cn/molecule-301877.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(dimethylamino)(methyl)phosphoryl]dimethylamine
IUPAC Traditional name
[dimethylamino(methyl)phosphoryl]dimethylamine
Synonyms
Methanephosphonic acid bis(dimethylamide)
Pentamethylphosphonic diamide
Methylphosphonic bis(dimethylamide)
甲基膦酸双(二甲胺)
CAS Number
2511-17-3
EC Number
219-728-7
MDL Number
MFCD00015433
Beilstein Number
1753415

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9271495  LogD (pH = 7.4) -0.92543113 
Log P -0.9254089  Molar Refractivity 39.8356 cm3
Polarizability 15.51819 Å3 Polar Surface Area 23.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
74-75°C/1.5mm expand Show data source
Flash Point
108°C(226°F) expand Show data source
Density
1.024 expand Show data source
Refractive Index
1.4590 expand Show data source
European Hazard Symbols
X expand Show data source
UN Number
UN3278 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H331-H302-H312 expand Show data source
GHS Precautionary statements
P261-P280-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Lithiation followed by reaction with a carbonyl compound gives a ?-hydroxyphosphonamide, readily dehydrated to an alkene: J. Am. Chem. Soc., 90, 6816 (1968):
  • • This procedure is complementary to the Horner-Wadsworth-Emmons method (see Appendix 1) since it allows stereochemical control and is especially useful for the synthesis of highly-substituted alkenes. Additional groups can be introduced by alkylation prior to condensation.
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PATENTS

PATENTS

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INTERNET

INTERNET

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