1-amino-3-(dimethylamino)propan-2-ol

• ChemBase ID: 255486
• Molecular Formular: C5H14N2O
• Molecular Mass: 118.17746
• Monoisotopic Mass: 118.11061308
• SMILES: N(CC(O)CN)(C)C
• Canonical SMILES: NCC(CN(C)C)O
• InChI: InChI=1S/C5H14N2O/c1-7(2)4-5(8)3-6/h5,8H,3-4,6H2,1-2H3
• InChIKey: QIDAFVGPTLOALB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-(dimethylamino)propan-2-ol
• IUPAC Traditional name: 1-amino-3-(dimethylamino)propan-2-ol
• Synonyms: 1-amino-3-(dimethylamino)-2-propanol; 1-amino-3-(dimethylamino)propan-2-ol

Database IDs

• CAS Number: 50411-39-7
• MDL Number: MFCD09740503
• PubChem SID: 164311396
• PubChem CID: 16793685

CALCULATED PROPERTIES

• Acid pKa: 14.534448
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.6161194
• LogD (pH = 7.4): -4.0303073
• Log P: -1.2371492
• Molar Refractivity: 33.9004 cm^3
• Polarizability: 13.610921 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.149

Product Information

• Purity: 95%