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Molecule
Methoxamine Hydrochloride
CAS: 61-16-5 · C11H18ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 61-16-5
- Molecular Formula
- C11H18ClNO3
- Molecular Mass
- 247.72 g/mol
Identifiers
CAS Registry Number
61-16-5
SMILES
COc1ccc(OC)c(C(O)C(C)N)c1.Cl
InChI Key
YGRFXPCHZBRUKP-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H
Names and Synonyms
- Methoxamine Hydrochloride Common Name
- Benzenemethanol, α-(1-aminoethyl)-2,5-dimethoxy-, hydrochloride (1:1) Synonym
- Benzyl alcohol, α-(1-aminoethyl)-2,5-dimethoxy-, hydrochloride Synonym
- Methoxamine hydrochloride Synonym
- Benzenemethanol, α-(1-aminoethyl)-2,5-dimethoxy-, hydrochloride Synonym
- 2-Amino-1-(2,5-dimethoxyphenyl)-1-propanol hydrochloride Synonym
- α-(α-Aminoethyl)-2,5-dimethoxybenzyl alcohol hydrochloride Synonym
- Beta-hydroxy-beta-(2,5-dimethoxyphenol)-isopropylamine hydrochloride Synonym
- β-Hydroxy-β-(2,5-dimethoxyphenyl)isopropylamine hydrochloride Synonym
- Pressomin hydrochloride Synonym
- Vasoxine hydrochloride Synonym
- Vasoxyl hydrochloride Synonym
- 2-Amino-1-hydroxy-1-(2,5-dimethoxyphenyl)propane hydrochloride Synonym
- Vasoxyl Synonym
- Vasoxine Synonym
- Vasylox Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 247.72 g/mol | CAS Common Chemistry |
| 247.722 g/mol | RDKit | |
| 247.719 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC(C1=CC(OC)=CC=C1OC)C(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=YGRFXPCHZBRUKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 212-216 °C | CAS Common Chemistry |
| Name | Methoxamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 64.71 Ų | RDKit |
| LogP | 1.5062 | RDKit |
| Molar Refractivity | 65.40320000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 247.097521116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
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.
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MW = 247.72 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H18ClNO3.
