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Molecule
Tyramine Hydrochloride
CAS: 60-19-5 · C8H12ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 60-19-5
- Molecular Formula
- C8H12ClNO
- Molecular Mass
- 173.64 g/mol
Identifiers
CAS Registry Number
60-19-5
SMILES
Cl.NCCc1ccc(O)cc1
InChI Key
RNISDHSYKZAWOK-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H
Names and Synonyms
- Tyramine Hydrochloride Synonym
- Phenol, 4-(2-aminoethyl)-, hydrochloride (1:1) Synonym
- Phenol, p-(2-aminoethyl)-, hydrochloride Synonym
- Phenol, 4-(2-aminoethyl)-, hydrochloride Synonym
- 4-Hydroxyphenethylamine hydrochloride Synonym
- Tyramine hydrochloride Synonym
- p-Tyramine hydrochloride Synonym
- 4-Hydroxy-β-phenethylamine hydrochloride Synonym
- 2-(4-Hydroxyphenyl)ethylamine hydrochloride Synonym
- Uteramin Synonym
- Mydrial Synonym
- Tyrosam Synonym
- 4-Hydroxyphenylethylamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.64 g/mol | CAS Common Chemistry |
| 173.643 g/mol | RDKit | |
| Canonical SMILES | Cl.OC1=CC=C(C=C1)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=RNISDHSYKZAWOK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 269 °C | CAS Common Chemistry |
| Name | Tyramine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 1.3152000000000001 | RDKit |
| 1.3152 | RDKit | |
| Molar Refractivity | 48.11320000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 173.060741684 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 173.64 g/mol. Edit any field — others recompute live.
