[3-(methylamino)phenyl]methanol hydrochloride

• ChemBase ID: 243762
• Molecular Formular: C8H12ClNO
• Molecular Mass: 173.63998
• Monoisotopic Mass: 173.06074169
• SMILES: N(c1cc(CO)ccc1)C.Cl
• Canonical SMILES: OCc1cccc(c1)NC.Cl
• InChI: InChI=1S/C8H11NO.ClH/c1-9-8-4-2-3-7(5-8)6-10;/h2-5,9-10H,6H2,1H3;1H
• InChIKey: NHZJTEDXBNWQRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(methylamino)phenyl]methanol hydrochloride
• IUPAC Traditional name: [3-(methylamino)phenyl]methanol hydrochloride
• Synonyms: [3-(methylamino)phenyl]methanol hydrochloride

Database IDs

• MDL Number: MFCD22578743
• PubChem SID: 164299672
• PubChem CID: 71757339

CALCULATED PROPERTIES

• Acid pKa: 15.110256
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6372778
• LogD (pH = 7.4): 0.6781276
• Log P: 0.67867416
• Molar Refractivity: 43.0677 cm^3
• Polarizability: 15.765992 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.603

Product Information

• Purity: 95%