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161118-69-0 molecular structure
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(2,4,4-trimethylpentan-2-yl)[tris(dimethylamino)-λ5-phosphanylidene]amine

ChemBase ID: 152677
Molecular Formular: C14H35N4P
Molecular Mass: 290.428261
Monoisotopic Mass: 290.25993377
SMILES and InChIs

SMILES:
CC(C)(C)CC(C)(C)N=P(N(C)C)(N(C)C)N(C)C
Canonical SMILES:
CN(P(=NC(CC(C)(C)C)(C)C)(N(C)C)N(C)C)C
InChI:
InChI=1S/C14H35N4P/c1-13(2,3)12-14(4,5)15-19(16(6)7,17(8)9)18(10)11/h12H2,1-11H3
InChIKey:
DSCJCKAURXOQPX-UHFFFAOYSA-N

Cite this record

CBID:152677 http://www.chembase.cn/molecule-152677.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,4,4-trimethylpentan-2-yl)[tris(dimethylamino)-λ5-phosphanylidene]amine
IUPAC Traditional name
(2,4,4-trimethylpentan-2-yl)[tris(dimethylamino)-λ5-phosphanylidene]amine
Synonyms
tert-Octylimino-tris(dimethylamino)phosphorane
Phosphazene base P1-t-Oct
叔辛基亚氨基-三(二甲氨基)正膦
磷腈配体 P1-叔辛基
CAS Number
161118-69-0
MDL Number
MFCD00145112
Beilstein Number
7129981
PubChem SID
24887453
162246820
PubChem CID
5069241

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
79412 external link Add to cart Please log in.
Data Source Data ID
PubChem 5069241 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4416506  LogD (pH = 7.4) 1.4417776 
Log P 1.4417793  Molar Refractivity 87.5464 cm3
Polarizability 35.04333 Å3 Polar Surface Area 22.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
68 °C/0.05 mmHg(lit.) expand Show data source
Refractive Index
n20/D 1.474 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3267 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3267 8/PG 2 expand Show data source
Purity
≥97.0% expand Show data source
Empirical Formula (Hill Notation)
C14H35N4P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 79412 external link
Other Notes
Sterically hindered, neutral nitrogen base with similar basicity as BEMP (Fluka 20025)1
Packaging
5 mL in glass bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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