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Molecule
2-(Aminomethyl)Phenol
CAS: 932-30-9 · C7H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 932-30-9
- Molecular Formula
- C7H9NO
- Molecular Mass
- 123.16 g/mol
Identifiers
CAS Registry Number
932-30-9
SMILES
NCc1ccccc1O
InChI Key
KPRZOPQOBJRYSW-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2
Names and Synonyms
- 2-(Aminomethyl)Phenol Synonym
- Phenol, 2-(aminomethyl)- Synonym
- o-Cresol, α-amino- Synonym
- 2-(Aminomethyl)phenol Synonym
- Salicylamine Synonym
- 2-Hydroxybenzylamine Synonym
- 2-Hydroxybenzenemethanamine Synonym
- o-Hydroxybenzylamine Synonym
- NSC 127870 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 123.16 g/mol | CAS Common Chemistry |
| 123.15499999999996 g/mol | RDKit | |
| 123.155 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 123.068413908 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
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MW = 123.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9NO.
