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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 Mass
- 265.40 g/mol
Identifiers
CAS Registry Number
90-72-2
SMILES
CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1
InChI Key
AHDSRXYHVZECER-UHFFFAOYSA-N
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
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.40 g/mol | CAS Common Chemistry |
| 265.40099999999995 g/mol | RDKit | |
| 265.401 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.974 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Canonical SMILES | OC=1C(=CC(=CC1CN(C)C)CN(C)C)CN(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=AHDSRXYHVZECER-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,4,6-Tris[(dimethylamino)methyl]phenol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.950000000000003 Ų | RDKit |
| 29.95 Ų | RDKit | |
| 29.26 Ų | chempirical lib | |
| LogP | 1.577 | RDKit |
| Molar Refractivity | 80.27980000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 265.215412484 g/mol | RDKit |
| Boiling Point | 130-135 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
