Back to Search
Molecule
4-Amino-Α-Methylbenzenemethanol
CAS: 14572-89-5 · C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14572-89-5
- Molecular Formula
- C8H11NO
- Molecular Mass
- 137.18 g/mol
Identifiers
CAS Registry Number
14572-89-5
SMILES
CC(O)c1ccc(N)cc1
InChI Key
JDEYBJHOTWGYFE-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3
Names and Synonyms
- 4-Amino-Α-Methylbenzenemethanol Synonym
- Benzenemethanol, 4-amino-α-methyl- Synonym
- Benzyl alcohol, p-amino-α-methyl- Synonym
- 4-Amino-α-methylbenzenemethanol Synonym
- 4-Amino-α-methylbenzyl alcohol Synonym
- 1-(4-Aminophenyl)ethanol Synonym
- 1-(p-Aminophenyl)ethanol Synonym
- [4-(1-Hydroxyethyl)phenyl]amine Synonym
- 4-(1-Hydroxyethyl)aniline Synonym
- (RS)-1-(4-Aminophenyl)ethanol Synonym
- p-Amino-α-methylbenzyl alcohol Synonym
- 1-(4-Aminophenyl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.18 g/mol | CAS Common Chemistry |
| 137.182 g/mol | RDKit | |
| Canonical SMILES | OC(C1=CC=C(N)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JDEYBJHOTWGYFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60-61 °C | CAS Common Chemistry |
| Name | 4-Amino-α-methylbenzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 1.3220999999999998 | RDKit |
| 1.3221 | RDKit | |
| 1.4 | chempirical lib | |
| Molar Refractivity | 41.48820000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 137.084063972 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 = 137.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11NO.
