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Molecule
Benzenemethanol, Α-(Aminomethyl)-3-Hydroxy-, Hydrochloride (1:1)
CAS: 15308-34-6 · C8H12ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15308-34-6
- Molecular Formula
- C8H12ClNO2
- Molecular Mass
- 189.64 g/mol
Identifiers
CAS Registry Number
15308-34-6
SMILES
Cl.NCC(O)c1cccc(O)c1
InChI Key
OWMFSWZUAWKDRR-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8,10-11H,5,9H2;1H
Names and Synonyms
- Benzenemethanol, Α-(Aminomethyl)-3-Hydroxy-, Hydrochloride (1:1) Synonym
- Benzenemethanol, α-(aminomethyl)-3-hydroxy-, hydrochloride (1:1) Synonym
- Benzyl alcohol, α-(aminomethyl)-m-hydroxy-, hydrochloride Synonym
- Benzenemethanol, α-(aminomethyl)-3-hydroxy-, hydrochloride Synonym
- Norfenefrin Synonym
- Norphenephrine hydrochloride Synonym
- Norphenylephrine hydrochloride Synonym
- 1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride Synonym
- 2-Amino-1-(3-hydroxyphenyl)ethanol hydrochloride Synonym
- m-Octopamine hydrochloride Synonym
- α-(Aminomethyl)-m-hydroxybenzyl alcohol hydrochloride Synonym
- Norfenefrine hydrochloride Synonym
- Zondel Synonym
- (±)-Norphenylephrine hydrochloride Synonym
- Novadral Synonym
- DL-m-Octopamine hydrochloride Synonym
- (±)-m-Octopamine hydrochloride Synonym
- Stagural Synonym
- dl-Norfenefrine hydrochloride Synonym
- Energona Synonym
- Tonolift Synonym
- Coritat Synonym
- WV 569 Synonym
- Depot-Novadral Synonym
- Vingsal Synonym
- Esbuphon Synonym
- Molycor R Synonym
- NSC 100733 Synonym
- NSC 297582 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.64 g/mol | CAS Common Chemistry |
| 189.642 g/mol | RDKit | |
| 189.639 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC1=CC=CC(=C1)C(O)CN | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8,10-11H,5,9H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=OWMFSWZUAWKDRR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 159-160 °C | CAS Common Chemistry |
| Name | Benzenemethanol, α-(aminomethyl)-3-hydroxy-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.48 Ų | RDKit |
| LogP | 0.8061 | RDKit |
| Molar Refractivity | 49.36900000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 189.055656304 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 |
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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.
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MW = 189.64 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12ClNO2.
