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680-31-9 molecular structure
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[bis(dimethylamino)phosphoryl]dimethylamine

ChemBase ID: 76925
Molecular Formular: C6H18N3OP
Molecular Mass: 179.200381
Monoisotopic Mass: 179.11874884
SMILES and InChIs

SMILES:
N(C)(C)P(=O)(N(C)C)N(C)C
Canonical SMILES:
CN(P(=O)(N(C)C)N(C)C)C
InChI:
InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
InChIKey:
GNOIPBMMFNIUFM-UHFFFAOYSA-N

Cite this record

CBID:76925 http://www.chembase.cn/molecule-76925.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[bis(dimethylamino)phosphoryl]dimethylamine
IUPAC Traditional name
hexamethylphosphoramide
Synonyms
N,N,N',N',N'',N''-Hexamethylphosphoric triamide
Tris(dimethylamino)phosphine oxide
HMPA
Hexamethylphosphoramide
Hexamethylphosphoric acid triamide
Hexamethylphosphoramide
Hexametapol
三(二甲氨基)氧膦
六甲基磷酸三胺
六甲基磷酰三胺
CAS Number
680-31-9
EC Number
211-653-8
MDL Number
MFCD00008303
Beilstein Number
1099903
PubChem SID
24895433
162041824
24874615
PubChem CID
12679
CHEBI ID
24565
Chemspider ID
12158
KEGG ID
C19250
Wikipedia Title
Hexamethylphosphoramide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4026855  LogD (pH = 7.4) -1.4026754 
Log P -1.4026753  Molar Refractivity 48.6383 cm3
Polarizability 19.64212 Å3 Polar Surface Area 26.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
7 °C(lit.) expand Show data source
7°C expand Show data source
7.20°C expand Show data source
Boiling Point
230-232 °C/740 mmHg(lit.) expand Show data source
230-232°C/740mm expand Show data source
232.5°C (CRC) expand Show data source
233 °C expand Show data source
233°C expand Show data source
Flash Point
144 °C expand Show data source
144°C expand Show data source
291.2 °F expand Show data source
Density
1.03 expand Show data source
1.03 at 20 °C (water = 1) expand Show data source
1.03 g/cm3 expand Show data source
1.03 g/ml expand Show data source
1.03 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.459 expand Show data source
n20/D 1.459(lit.) expand Show data source
Vapor Pressure
0.03 mm Hg at Room temperature, 0.07 mm Hg at 25 °C expand Show data source
0.07 mmHg ( 25 °C) expand Show data source
Vapor Density
6.18 (vs air) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Harmful/Carcinogenic/Mutagenic/Air Sensitive/Moisture Sensitive/Store under Argon expand Show data source
RTECS
TD0875000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
45-46 expand Show data source
R:45-46 expand Show data source
R:45-46-58 expand Show data source
Safety Statements
53-45 expand Show data source
S:45-53 expand Show data source
S:45-53-61 expand Show data source
EU Classification
T1 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
153 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H340-H350 expand Show data source
GHS Precautionary statements
P201-P308 + P313 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
~99% expand Show data source
≥98.0% (GC) expand Show data source
97% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Impurities
≤2.0% water (Karl Fischer) expand Show data source
Linear Formula
[(CH3)2N]3PO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02151251 external link
1 ml = approx. 1.02 g
Purity: ~99%
Sigma Aldrich - H11602 external link
Application
Useful aprotic solvent.
Packaging
5, 100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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