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Molecule
2-Aminobenzeneethanol
CAS: 5339-85-5 · C8H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5339-85-5
- Molecular Formula
- C8H11NO
- Molecular Mass
- 137.18 g/mol
Identifiers
CAS Registry Number
5339-85-5
SMILES
Nc1ccccc1CCO
InChI Key
ILDXSRFKXABMHH-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2
Names and Synonyms
- 2-Aminobenzeneethanol Synonym
- [2-(2-Hydroxyethyl)phenyl]amine Synonym
- NSC 3572 Synonym
- 2-(2-Aminophenyl)ethanol Synonym
- 2-(2-Aminophenyl)ethyl alcohol Synonym
- o-(2-Hydroxyethyl)aniline Synonym
- 2-(2-Aminophenyl)ethan-1-ol Synonym
- Benzeneethanol, 2-amino- Synonym
- Phenethyl alcohol, o-amino- Synonym
- 2-Aminobenzeneethanol Synonym
- 2-(o-Aminophenyl)ethanol Synonym
- 2-Aminophenylethyl alcohol Synonym
- o-Aminophenethyl alcohol Synonym
- 2-(2-Hydroxyethyl)aniline Synonym
- 2-Aminophenethyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.18 g/mol | CAS Common Chemistry |
| 137.18200000000002 g/mol | RDKit | |
| 137.182 g/mol | RDKit | |
| Canonical SMILES | OCCC=1C=CC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ILDXSRFKXABMHH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140-145 °C | CAS Common Chemistry |
| Name | 2-Aminobenzeneethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 0.8035999999999999 | RDKit |
| 0.8036 | RDKit | |
| Molar Refractivity | 41.64420000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 137.084063972 g/mol | RDKit |
| Boiling Point | 147-148 °C @ 3.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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 = 137.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11NO.
