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3-(Dimethylamino)Benzenemethanol
CAS: 23501-93-1 | C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23501-93-1
Molecular Formula:
C9H13NO
Molecular Mass:
151.21 g/mol
Names and Synonyms:
3-(Dimethylamino)Benzenemethanol
Benzenemethanol, 3-(dimethylamino)-
Benzyl alcohol, m-(dimethylamino)-
3-(Dimethylamino)benzenemethanol
m-(Dimethylamino)benzyl alcohol
3-(Dimethylamino)benzyl alcohol
(3-Dimethylaminophenyl)methanol
3-(N,N-Dimethylamino)benzyl alcohol
Identifiers:
SMILES:
CN(C)c1cccc(CO)c1
InChI:
InChI=1S/C9H13NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-6,11H,7H2,1-2H3
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 | 151.21 g/mol | CAS Common Chemistry |
| 151.20899999999997 g/mol | RDKit | |
| 151.099714036 g/mol | RDKit | |
| Canonical SMILES | OCC=1C=CC=C(C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-6,11H,7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YTUXZVSDDHCTBZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-(Dimethylamino)benzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 1.2449 | RDKit |
| Molar Refractivity | 46.69180000000003 | RDKit |
