2-(ethylamino)propan-1-ol

• ChemBase ID: 33354
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: N(C(CO)C)CC
• Canonical SMILES: CCNC(CO)C
• InChI: InChI=1S/C5H13NO/c1-3-6-5(2)4-7/h5-7H,3-4H2,1-2H3
• InChIKey: SGBGCXQCQVUHNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)propan-1-ol
• IUPAC Traditional name: 2-(ethylamino)propan-1-ol
• Synonyms: 2-(Ethylamino)propan-1-ol; 2-(ethylamino)-1-propanol

Database IDs

• CAS Number: 24417-04-7
• MDL Number: MFCD11053920
• PubChem SID: 160996661
• PubChem CID: 14302278

CALCULATED PROPERTIES

• Acid pKa: 15.129475
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.326933
• LogD (pH = 7.4): -2.6008246
• Log P: -0.109597504
• Molar Refractivity: 30.1531 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false