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2-(Aminomethyl)Phenol
CAS: 932-30-9 | C7H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
932-30-9
Molecular Formula:
C7H9NO
Molecular Mass:
123.16 g/mol
Names and Synonyms:
2-(Aminomethyl)Phenol
Phenol, 2-(aminomethyl)-
o-Cresol, α-amino-
2-(Aminomethyl)phenol
Salicylamine
2-Hydroxybenzylamine
2-Hydroxybenzenemethanamine
o-Hydroxybenzylamine
NSC 127870
Identifiers:
SMILES:
NCc1ccccc1O
InChI:
InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2
Key Properties
Melting Point
129 °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 | 123.16 g/mol | CAS Common Chemistry |
| 123.15499999999996 g/mol | RDKit | |
| 123.068413908 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=CC1CN | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KPRZOPQOBJRYSW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129 °C | CAS Common Chemistry |
| Name | 2-(Aminomethyl)phenol | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 0.8509 | RDKit |
| Molar Refractivity | 35.99820000000001 | RDKit |
