2-(dimethylamino)propan-1-ol

• ChemBase ID: 29858
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: C(N(C)C)(C)CO
• Canonical SMILES: OCC(N(C)C)C
• InChI: InChI=1S/C5H13NO/c1-5(4-7)6(2)3/h5,7H,4H2,1-3H3
• InChIKey: PBKGYWLWIJLDGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)propan-1-ol
• IUPAC Traditional name: propanol,2-dimethylamino
• Synonyms: 2-(Dimethylamino)propan-1-ol; DL-2-DIMETHYLAMINO-1-PROPANOL

Database IDs

• CAS Number: 15521-18-3
• MDL Number: MFCD00014425
• PubChem SID: 160993165
• PubChem CID: 85865

CALCULATED PROPERTIES

• Acid pKa: 15.122709
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4085023
• LogD (pH = 7.4): -1.9797328
• Log P: -0.08335752
• Molar Refractivity: 30.6992 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05220859

MP Biomedicals Rare Chemical collection