2-methyl-1-(propylamino)propan-2-ol

• ChemBase ID: 270625
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: C(O)(CNCCC)(C)C
• Canonical SMILES: CCCNCC(O)(C)C
• InChI: InChI=1S/C7H17NO/c1-4-5-8-6-7(2,3)9/h8-9H,4-6H2,1-3H3
• InChIKey: BGTOSPGUGMQZPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(propylamino)propan-2-ol
• IUPAC Traditional name: 2-methyl-1-(propylamino)propan-2-ol
• Synonyms: 2-methyl-1-(propylamino)propan-2-ol

Database IDs

• MDL Number: MFCD11934298
• PubChem SID: 164326535
• PubChem CID: 39235030

CALCULATED PROPERTIES

• Acid pKa: 15.031794
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5363424
• LogD (pH = 7.4): -2.0358465
• Log P: 0.69350153
• Molar Refractivity: 39.3153 cm^3
• Polarizability: 15.770842 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.775

Product Information

• Purity: 95%