Molecule
ID:104310
General Information
Molecular Formula
C₁₁H₁₈ClNO₃
Molecular Mass
247.71852
Exact Mass
247.09752112
Charge
0
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
InChIKey
YGRFXPCHZBRUKP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C(C(N)C)O)OC.Cl
Isomeric Smiles
Cl.COc1ccc(OC)c(c1)C(O)C(C)N
Calculated Properties
Provided by Enamine
CLogP
0.59
H Donor
2
Polar Surface Area
64.71
Rotatable Bonds
4
JChem
Polar Surface Area
64.71
H Donor
2
H Acceptors
4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Log P
0.57
LogD (pH = 5.5)
-2.29
LogD (pH = 7.4)
-0.86
Acid pKa
13.60
Molar Refractivity
57.84
Polarizability
22.97
LOG S
-1.41
Data Source
Names and Identifiers
IUPAC name
2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol hydrochloride
IUPAC Traditional name
methoxamine hydrochloride
Synonyms
METHOXAMINEα-[1-Aminoethyl]-2,5-dimethoxybenzyl alcoholα-(1-Aminoethyl)-2,5-dimethoxybenzyl alcohol hydrochlorideMethoxamine hydrochloridemethoxamine hydrochlorideVasoxine HCl
API Name
Methoxamine hydrochloride
Registration numbers
EC Number
CAS Number
MDL Number
PubChem CID
DrugBank ID
Properties
Safety Information
RTECS
DN4025000
MSDS Link
Storage Condition
2-8°C, Desiccate
Storage Temperature
2-8°C
German water hazard class
3
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Product Information
Certificate of Analysis
Salt Data
hydrochloride
Physical Property
Melting Point
212-216
Pharmacology Properties
Gene Information
human ... ADRA1A(148), ADRA1B(147), ADRA1D(146)
Target
Others
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
(α-[1-Aminoethyl]-2,5-dimethoxybenzyl alcohol) Hydrochloride
Biochem/physiol Actions
α1-adrenoceptor agonist.
α1-adrenoceptor agonist.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay