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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
Phenol, 2,4,6-tris[(dimethylamino)methyl]-
Mesitol, α,α′,α′′-tris(dimethylamino)-
Mesitol, α2,α4,α6-tris(dimethylamino)-
2,4,6-Tris[(dimethylamino)methyl]phenol
α,α′,α′′-Tris(dimethylamino)mesitol
2,4,6-Tris[(N,N-dimethylamino)methyl]phenol
DMF 3
S 41028-4
UP 606/2
Araldite DY 061
Araldite DY 064
Araldite Hardener HY 960
Sumicure D
DY 061
Araldite HY 960
Capcure EH 30
EH 30
Actiron NX 3
Anchor K 54
Ancamine K 54
K 54
Dabco TMR 30
DMP 30
Epilink 230
Protex NX 3
CK 54
Rutapox DMP 30
TAP
TAP (aminophenol)
Versamine EH 30
NSC 3257
Versamine CEX 13320
HY 960-1
Ancamine 54
Agidol 53
JER Cure 3010
WHUT-RL-C
Luveak DMP 30
HY 960
JER 3010
Accelerator 960-1
Alkofen MA
TMR 30
Ankamine K 54
Epikure 3253
Seikuol TDMP
TMA-EH 30
Jointmine No 30
Jointmine 30
DEH 35
Daitocurar HD-Acc 43
Pcat 1030
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 265.40099999999995 g/mol | RDKit |
| Exact | Exact Molecular Weight | 265.215412484 g/mol | RDKit |
| Heavy | Heavy Atom Count | 19 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 6 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 29.950000000000003 Ų | RDKit |
| Physical Properties | 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 | Legacy Database | |
| cas-canonical-smile | OC=1C(=CC(=CC1CN(C)C)CN(C)C)CN(C)C | Legacy Database | |
| cas-density | 0.974 g/cm3 @ Temp: 15 °C | 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 | Legacy Database | |
| cas-inchi-key | InChIKey=AHDSRXYHVZECER-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 2,4,6-Tris[(dimethylamino)methyl]phenol | Legacy Database | |
| Molar | Molar Refractivity | 80.27980000000005 | RDKit |
