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2,4,6-Tris[(Dimethylamino)Methyl]Phenol
CAS: 90-72-2 | C15H27N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-72-2
Molecular Formula:
C15H27N3O
Molecular Weight:
265.40099999999995 g/mol
Names and Synonyms:
2,4,6-Tris[(Dimethylamino)Methyl]Phenol
Synonym
Phenol, 2,4,6-tris[(dimethylamino)methyl]-
Synonym
Mesitol, α,α′,α′′-tris(dimethylamino)-
Synonym
Mesitol, α2,α4,α6-tris(dimethylamino)-
Synonym
2,4,6-Tris[(dimethylamino)methyl]phenol
Synonym
α,α′,α′′-Tris(dimethylamino)mesitol
Synonym
2,4,6-Tris[(N,N-dimethylamino)methyl]phenol
Synonym
DMF 3
Synonym
S 41028-4
Synonym
UP 606/2
Synonym
Araldite DY 061
Synonym
Araldite DY 064
Synonym
Araldite Hardener HY 960
Synonym
Sumicure D
Synonym
DY 061
Synonym
Araldite HY 960
Synonym
Capcure EH 30
Synonym
EH 30
Synonym
Actiron NX 3
Synonym
Anchor K 54
Synonym
Ancamine K 54
Synonym
K 54
Synonym
Dabco TMR 30
Synonym
DMP 30
Synonym
Epilink 230
Synonym
Protex NX 3
Synonym
CK 54
Synonym
Rutapox DMP 30
Synonym
TAP
Synonym
TAP (aminophenol)
Synonym
Versamine EH 30
Synonym
NSC 3257
Synonym
Versamine CEX 13320
Synonym
HY 960-1
Synonym
Ancamine 54
Synonym
Agidol 53
Synonym
JER Cure 3010
Synonym
WHUT-RL-C
Synonym
Luveak DMP 30
Synonym
HY 960
Synonym
JER 3010
Synonym
Accelerator 960-1
Synonym
Alkofen MA
Synonym
TMR 30
Synonym
Ankamine K 54
Synonym
Epikure 3253
Synonym
Seikuol TDMP
Synonym
TMA-EH 30
Synonym
Jointmine No 30
Synonym
Jointmine 30
Synonym
DEH 35
Synonym
Daitocurar HD-Acc 43
Synonym
Pcat 1030
Synonym
Identifiers:
SMILES:
CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 265.40099999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 265.215412484 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 19 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.950000000000003 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.577 | RDKit |
| molecular_mass | 265.40 g/mol | Legacy Database |
| density | 0.97 g/cm³ | Legacy Database |
| cas-boiling-point | 130-135 °C @ Press: 1 Torr None | Legacy Database |
| cas-canonical-smile | OC=1C(=CC(=CC1CN(C)C)CN(C)C)CN(C)C None | Legacy Database |
| cas-density | 0.974 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=AHDSRXYHVZECER-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2,4,6-Tris[(dimethylamino)methyl]phenol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 80.27980000000005 | RDKit |