2-[(2-aminoethyl)(methyl)amino]ethan-1-ol

• ChemBase ID: 308287
• Molecular Formular: C5H14N2O
• Molecular Mass: 118.17746
• Monoisotopic Mass: 118.11061308
• SMILES: N(CCN)(CCO)C
• Canonical SMILES: NCCN(CCO)C
• InChI: InChI=1S/C5H14N2O/c1-7(3-2-6)4-5-8/h8H,2-6H2,1H3
• InChIKey: XYJVGUKOTPNESI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-aminoethyl)(methyl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(2-aminoethyl)(methyl)amino]ethanol
• Synonyms: 2-[(2-aminoethyl)(methyl)amino]ethanol

Database IDs

• CAS Number: 5753-50-4
• MDL Number: MFCD10686600

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.537059
• LogD (pH = 7.4): -3.421263
• Log P: -1.2969164
• Molar Refractivity: 34.2302 cm^3
• Polarizability: 13.610921 Å^3
• Polar Surface Area: 49.49 Å^2