2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol hydrochloride

• ChemBase ID: 104310
• Molecular Formular: C11H18ClNO3
• Molecular Mass: 247.71852
• Monoisotopic Mass: 247.09752112
• SMILES: Cl.COc1ccc(OC)c(c1)C(O)C(C)N
• Canonical SMILES: COc1ccc(c(c1)C(C(N)C)O)OC.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
• InChIKey: YGRFXPCHZBRUKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol hydrochloride
• IUPAC Traditional name: methoxamine hydrochloride
• Synonyms: α-[1-Aminoethyl]-2,5-dimethoxybenzyl alcohol; METHOXAMINE; α-(1-Aminoethyl)-2,5-dimethoxybenzyl alcohol hydrochloride; Methoxamine hydrochloride; Vasoxine HCl; methoxamine hydrochloride

Database IDs

• CAS Number: 61-16-5
• EC Number: 200-499-7
• MDL Number: MFCD00058607
• PubChem SID: 24277785; 162091032
• PubChem CID: 6081

CALCULATED PROPERTIES

• Acid pKa: 13.60522
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.3914816
• LogD (pH = 7.4): -1.2848133
• Log P: 0.5699118
• Molar Refractivity: 57.8391 cm^3
• Polarizability: 23.027697 Å^3
• Polar Surface Area: 64.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 212-216

Safety Information

• Storage Condition: 2-8°C, Desiccate
• RTECS: DN4025000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Target: Others
• Gene Information: human ... ADRA1A(148), ADRA1B(147), ADRA1D(146)

Product Information

• Salt Data: hydrochloride

DETAILS

MP Biomedicals - 02155403

(α-[1-Aminoethyl]-2,5-dimethoxybenzyl alcohol) Hydrochloride

Sigma Aldrich - M6524

Biochem/physiol Actions
α1-adrenoceptor agonist.