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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
Names and Synonyms:
Methoxamine Hydrochloride
Benzenemethanol, α-(1-aminoethyl)-2,5-dimethoxy-, hydrochloride (1:1)
Benzyl alcohol, α-(1-aminoethyl)-2,5-dimethoxy-, hydrochloride
Methoxamine hydrochloride
Benzenemethanol, α-(1-aminoethyl)-2,5-dimethoxy-, hydrochloride
2-Amino-1-(2,5-dimethoxyphenyl)-1-propanol hydrochloride
α-(α-Aminoethyl)-2,5-dimethoxybenzyl alcohol hydrochloride
Beta-hydroxy-beta-(2,5-dimethoxyphenol)-isopropylamine hydrochloride
β-Hydroxy-β-(2,5-dimethoxyphenyl)isopropylamine hydrochloride
Pressomin hydrochloride
Vasoxine hydrochloride
Vasoxyl hydrochloride
2-Amino-1-hydroxy-1-(2,5-dimethoxyphenyl)propane hydrochloride
Vasoxyl
Vasoxine
Vasylox
Identifiers:
SMILES:
COc1ccc(OC)c(C(O)C(C)N)c1.Cl
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
Key Properties
Melting Point
212-216 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 247.72 g/mol | CAS Common Chemistry |
| 247.722 g/mol | RDKit | |
| 247.097521116 g/mol | RDKit | |
| 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 | RDKit |
