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Molecule
2-Amino-4-Phenylphenol
CAS: 1134-36-7 · C12H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1134-36-7
- Molecular Formula
- C12H11NO
- Molecular Mass
- 185.23 g/mol
Identifiers
CAS Registry Number
1134-36-7
SMILES
Nc1cc(-c2ccccc2)ccc1O
InChI Key
IGIDZGNPFWGICD-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2
Names and Synonyms
- 2-Amino-4-Phenylphenol Systematic Name
- [1,1′-Biphenyl]-4-ol, 3-amino- Synonym
- 4-Biphenylol, 3-amino- Synonym
- Phenol, 2-amino-4-phenyl- Synonym
- 3-Amino[1,1′-biphenyl]-4-ol Synonym
- 3-Amino-4-hydroxybiphenyl Synonym
- 2-Amino-4-phenylphenol Synonym
- 2-Hydroxy-5-phenylaniline Synonym
- 4-Phenyl-2-aminophenol Synonym
- NSC 7950 Synonym
- 3-Amino-4-biphenylol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 185.23 g/mol | CAS Common Chemistry |
| 185.226 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC(=CC1N)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IGIDZGNPFWGICD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 208 °C | CAS Common Chemistry |
| Name | 2-Amino-4-phenylphenol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 2.6414000000000013 | RDKit |
| 2.6414 | RDKit | |
| Molar Refractivity | 57.955200000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 185.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 185.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H11NO.
