(1R)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride

• ChemBase ID: 107334
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: Cl.CNC(C)[C@H](O)c1ccccc1
• Canonical SMILES: CNC([C@@H](c1ccccc1)O)C.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8?,10-;/m0./s1
• InChIKey: BALXUFOVQVENIU-LQRGNCEWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride
• IUPAC Traditional name: (1R)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride
• Synonyms: EPHEDRINE HCl

Database IDs

• CAS Number: 134-71-4
• PubChem SID: 162088326
• PubChem CID: 16667682

CALCULATED PROPERTIES

• Acid pKa: 13.889531
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8580045
• LogD (pH = 7.4): -0.7786886
• Log P: 1.3178347
• Molar Refractivity: 49.6873 cm^3
• Polarizability: 19.85273 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203363

MP Biomedicals Rare Chemical collection