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Molecule
5-Amino-2-Methylphenol
CAS: 2835-95-2 · C7H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2835-95-2
- Molecular Formula
- C7H9NO
- Molecular Mass
- 123.16 g/mol
Identifiers
CAS Registry Number
2835-95-2
SMILES
Cc1ccc(N)cc1O
InChI Key
DBFYESDCPWWCHN-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3
Names and Synonyms
- 5-Amino-2-Methylphenol Systematic Name
- Phenol, 5-amino-2-methyl- Synonym
- o-Cresol, 5-amino- Synonym
- 5-Amino-2-methylphenol Synonym
- 3-Hydroxy-4-methylaniline Synonym
- 3-Amino-6-methylphenol Synonym
- 4-Amino-2-hydroxytoluene Synonym
- 2-Methyl-5-aminophenol Synonym
- 3-Hydroxy-p-toluidine Synonym
- 5-Amino-o-cresol Synonym
- 1-Methyl-2-hydroxy-4-aminobenzene Synonym
- 2-Hydroxy-4-aminotoluene Synonym
- 6-Methyl-3-aminophenol Synonym
- 5-Amino-2-cresol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 123.16 g/mol | CAS Common Chemistry |
| 123.155 g/mol | RDKit | |
| Canonical SMILES | OC1=CC(N)=CC=C1C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DBFYESDCPWWCHN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 161 °C | CAS Common Chemistry |
| Name | 5-Amino-2-methylphenol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 1.2828199999999998 | RDKit |
| 1.2828 | RDKit | |
| Molar Refractivity | 37.2562 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
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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.
