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Molecule
2-(4-Aminophenyl)Ethanol
CAS: 104-10-9 · C8H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 104-10-9
- Molecular Formula
- C8H11NO
- Molecular Mass
- 137.18 g/mol
Identifiers
CAS Registry Number
104-10-9
SMILES
Nc1ccc(CCO)cc1
InChI Key
QXHDYMUPPXAMPQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2
Names and Synonyms
- 2-(4-Aminophenyl)Ethanol Systematic Name
- Benzeneethanol, 4-amino- Synonym
- Phenethyl alcohol, p-amino- Synonym
- 4-Aminobenzeneethanol Synonym
- p-Aminophenethyl alcohol Synonym
- 2-(p-Aminophenyl)ethanol Synonym
- 2-(4-Aminophenyl)ethanol Synonym
- 4-(2-Hydroxyethyl)aniline Synonym
- p-(2-Hydroxyethyl)aniline Synonym
- 4-Aminophenethyl alcohol Synonym
- 4-(2-Hydroxyethyl)phenylamine Synonym
- 2-(4-Aminophenyl)-1-ethanol Synonym
- NSC 409780 Synonym
- 2-(4-Aminophenyl)ethyl 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 | OCCC1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QXHDYMUPPXAMPQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109 °C | CAS Common Chemistry |
| Name | 2-(4-Aminophenyl)ethanol | 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 | 0.8036000000000001 | 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 | 230-235 °C @ 3-5 Torr | CAS Common Chemistry |
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 = 137.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11NO.
