(2-hydroxy-3-methoxypropyl)(methyl)amine

• ChemBase ID: 308926
• Molecular Formular: C5H13NO2
• Molecular Mass: 119.16222
• Monoisotopic Mass: 119.09462866
• SMILES: C(O)(CNC)COC
• Canonical SMILES: CNCC(COC)O
• InChI: InChI=1S/C5H13NO2/c1-6-3-5(7)4-8-2/h5-7H,3-4H2,1-2H3
• InChIKey: FQPOLOTYYAEFEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-hydroxy-3-methoxypropyl)(methyl)amine
• IUPAC Traditional name: (2-hydroxy-3-methoxypropyl)(methyl)amine
• Synonyms: 1-methoxy-3-(methylamino)-2-propanol

Database IDs

• CAS Number: 60755-68-2
• MDL Number: MFCD11108829

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0667424
• LogD (pH = 7.4): -3.1243775
• Log P: -0.87018895
• Molar Refractivity: 31.6994 cm^3
• Polarizability: 12.789923 Å^3
• Polar Surface Area: 41.49 Å^2