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3-Amino-2-Methylbenzyl Alcohol
CAS: 83647-42-1 | C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83647-42-1
Molecular Formula:
C8H11NO
Molecular Mass:
137.18 g/mol
Names and Synonyms:
3-Amino-2-Methylbenzyl Alcohol
Benzenemethanol, 3-amino-2-methyl-
Benzyl alcohol, 3-amino-2-methyl-
3-Amino-2-methylbenzenemethanol
3-Amino-2-methylbenzyl alcohol
2-Methyl-3-hydroxymethylaniline
(3-Amino-2-methylphenyl)methanol
Identifiers:
SMILES:
Cc1c(N)cccc1CO
InChI:
InChI=1S/C8H11NO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5,9H2,1H3
Key Properties
Melting Point
106-107 °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 | 137.18 g/mol | CAS Common Chemistry |
| 137.182 g/mol | RDKit | |
| 137.084063972 g/mol | RDKit | |
| Canonical SMILES | OCC=1C=CC=C(N)C1C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UVYZMJMDIMWDNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 106-107 °C | CAS Common Chemistry |
| Name | 3-Amino-2-methylbenzyl alcohol | 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 | 1.06952 | RDKit |
| Molar Refractivity | 41.51420000000001 | RDKit |
