Back to Search
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
Names and Synonyms:
4,4'-Bis(Dimethylamino)Benzhydrol
Benzenemethanol, 4-(dimethylamino)-α-[4-(dimethylamino)phenyl]-
Benzhydrol, 4,4′-bis(dimethylamino)-
Benzohydrol, 4,4′-bis(dimethylamino)-
4-(Dimethylamino)-α-[4-(dimethylamino)phenyl]benzenemethanol
α,α-Bis(p-dimethylaminophenyl)methanol
Michler's hydrol
Tetramethyldiaminobenzhydrol
N,N′-Tetramethyl-4,4′-diaminobenzohydrol
4,4′-Bis(dimethylamino)diphenylcarbinol
p,p′-Bis(dimethylamino)benzhydrol
4,4′-Bis(dimethylamino)diphenylmethanol
4,4′-Bis(dimethylamino)benzhydrol
NSC 3563
4,4′-(Dimethylamino)benzhydrol
Identifiers:
SMILES:
CN(C)c1ccc(C(O)c2ccc(N(C)C)cc2)cc1
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
Key Properties
Melting Point
98-100 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.38 g/mol | CAS Common Chemistry |
| 270.376 g/mol | RDKit | |
| 270.173213324 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 |
| 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 |
| LogP | 2.9003000000000014 | RDKit |
| Molar Refractivity | 85.59980000000004 | RDKit |
