Back to Search
Molecule
4,4'-Bis(Dimethylamino)Benzhydrol
CAS: 119-58-4 · C17H22N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 119-58-4
- Molecular Formula
- C17H22N2O
- Molecular Mass
- 270.38 g/mol
Identifiers
CAS Registry Number
119-58-4
SMILES
CN(C)c1ccc(C(O)c2ccc(N(C)C)cc2)cc1
InChI Key
YLZSIUVOIFJGQZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H22N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12,17,20H,1-4H3
Names and Synonyms
- 4,4'-Bis(Dimethylamino)Benzhydrol Systematic Name
- Benzenemethanol, 4-(dimethylamino)-α-[4-(dimethylamino)phenyl]- Synonym
- Benzhydrol, 4,4′-bis(dimethylamino)- Synonym
- Benzohydrol, 4,4′-bis(dimethylamino)- Synonym
- 4-(Dimethylamino)-α-[4-(dimethylamino)phenyl]benzenemethanol Synonym
- α,α-Bis(p-dimethylaminophenyl)methanol Synonym
- Michler's hydrol Synonym
- Tetramethyldiaminobenzhydrol Synonym
- N,N′-Tetramethyl-4,4′-diaminobenzohydrol Synonym
- 4,4′-Bis(dimethylamino)diphenylcarbinol Synonym
- p,p′-Bis(dimethylamino)benzhydrol Synonym
- 4,4′-Bis(dimethylamino)diphenylmethanol Synonym
- 4,4′-Bis(dimethylamino)benzhydrol Synonym
- NSC 3563 Synonym
- 4,4′-(Dimethylamino)benzhydrol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.38 g/mol | CAS Common Chemistry |
| 270.376 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4,4%27-Bis(dimethylamino)benzhydrol | CAS Common Chemistry |
| Canonical SMILES | OC(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H22N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12,17,20H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YLZSIUVOIFJGQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 98-100 °C | CAS Common Chemistry |
| Name | 4,4′-Bis(dimethylamino)benzhydrol | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.71 Ų | RDKit |
| 26.25 Ų | chempirical lib | |
| LogP | 2.9003000000000014 | RDKit |
| 2.9003 | RDKit | |
| Molar Refractivity | 85.59980000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 270.173213324 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 270.38 g/mol. Edit any field — others recompute live.
