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26444-72-4 molecular structure
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2,4,6-tris[(dimethylamino)methyl]phenol

ChemBase ID: 92413
Molecular Formular: C15H27N3O
Molecular Mass: 265.39438
Monoisotopic Mass: 265.2154125
SMILES and InChIs

SMILES:
Oc1c(cc(cc1CN(C)C)CN(C)C)CN(C)C
Canonical SMILES:
CN(Cc1cc(CN(C)C)c(c(c1)CN(C)C)O)C
InChI:
InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3
InChIKey:
AHDSRXYHVZECER-UHFFFAOYSA-N

Cite this record

CBID:92413 http://www.chembase.cn/molecule-92413.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4,6-tris[(dimethylamino)methyl]phenol
IUPAC Traditional name
2,4,6-tris[(dimethylamino)methyl]phenol
Synonyms
2,4,6-Tris((dimethylamino)methyl)phenol
Epon™ DMP 30 substitute
2,4,6-Tris(dimethylaminomethyl)phenol
Epoxy embedding medium, accelerator
2,4,6-TRI(DIMETHYLAMINOMETHYL)PHENOL
DMP-30
2,4,6-Tris(dimethylaminomethyl)phenol
2,4,6-Tris(dimethylaminomethyl)phenol 96%
2,4,6-tris(DIMETHYLAMINOMETHYL) PHENOL
2,4,6-tris[(dimethylamino)methyl]phenol
2,4,6-三(二甲氨基甲基)苯酚
CAS Number
26444-72-4
90-72-2
EC Number
202-013-9
MDL Number
MFCD00008330
Beilstein Number
795751
PubChem SID
162079111
24868816
24889841
24863317
24900319
PubChem CID
7026

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.004478  H Acceptors
H Donor LogD (pH = 5.5) -7.3093905 
LogD (pH = 7.4) -2.6783752  Log P -0.1597625 
Molar Refractivity 83.667 cm3 Polarizability 32.101646 Å3
Polar Surface Area 29.95 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
31 - 32°C expand Show data source
Boiling Point
130-135 °C/1 mmHg(lit.) expand Show data source
130-135°C/1mm expand Show data source
316°C expand Show data source
Flash Point
>110°C expand Show data source
124 °C expand Show data source
255.2 °F expand Show data source
Density
0.943 g/ml expand Show data source
0.969 expand Show data source
0.969 g/mL at 25 °C(lit.) expand Show data source
0.97 g/ml expand Show data source
Refractive Index
1.516 expand Show data source
n20/D 1.516(lit.) expand Show data source
n20/D 1.517 expand Show data source
Vapor Pressure
<0.01 mmHg ( 21 °C) expand Show data source
Vapor Density
>1 (vs air) expand Show data source
Hydrophobicity(logP)
0.877 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
SN3500000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2735 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
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-36/38 expand Show data source
R:22-36/38 expand Show data source
Safety Statements
26-28 expand Show data source
S:26-28 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 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 2735 8/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥80% (GC) expand Show data source
≥90% (NT) expand Show data source
≥95% (NT) expand Show data source
70% expand Show data source
95% expand Show data source
95+% expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Impurities
≤30% 2,6-bis(dimethylaminomethyl)phenol expand Show data source
Linear Formula
[(CH3)2NCH2]3C6H2OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157792 external link
1 ml = approx. 0.97 g
MP Biomedicals - 05219126 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 45348 external link
Application
Epoxy embedding medium, accelerator is used according to the protocol provided for Epoxy Embedding Medium kit, Prod. No. 45359 available on-line. The embedding media is used for electron microscopy.
Legal Information
Epon is a trademark of Momentive Specialty Chemicals, Inc.
Sigma Aldrich - T58203 external link
Packaging
50, 250 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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