(2R)-2-hydroxypropan-1-aminium

• ChemBase ID: 795873
• Molecular Formular: C3H10NO+
• Molecular Mass: 76.1176
• Monoisotopic Mass: 76.07623895
• SMILES: C[C@@H](O)C[NH3+]
• Canonical SMILES: C[C@H](C[NH3+])O
• InChI: InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m1/s1
• InChIKey: HXKKHQJGJAFBHI-GSVOUGTGSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-hydroxypropan-1-aminium
• IUPAC Traditional name: (R)-1-aminopropan-2-ol
• Synonyms: (R)-1-AMinopropan-2-ol

Database IDs

• CAS Number: 2799-16-8

CALCULATED PROPERTIES

• Acid pKa: 15.304407
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -3.8963997
• LogD (pH = 7.4): -3.0420208
• Log P: -0.89898586
• Molar Refractivity: 31.9227 cm^3
• Polarizability: 8.345933 Å^3
• Polar Surface Area: 47.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%