(2S)-2,3-diaminopropan-1-ol

• ChemBase ID: 278635
• Molecular Formular: C3H10N2O
• Molecular Mass: 90.1243
• Monoisotopic Mass: 90.07931295
• SMILES: [C@H](N)(CN)CO
• Canonical SMILES: NC[C@@H](CO)N
• InChI: InChI=1S/C3H10N2O/c4-1-3(5)2-6/h3,6H,1-2,4-5H2/t3-/m0/s1
• InChIKey: QHBWSLQUJMHGDB-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,3-diaminopropan-1-ol
• IUPAC Traditional name: (2S)-2,3-diaminopropan-1-ol
• Synonyms: (2S)-2,3-diaminopropan-1-ol

Database IDs

• MDL Number: MFCD19205565
• PubChem SID: 164334545
• PubChem CID: 11829361

CALCULATED PROPERTIES

• Acid pKa: 15.087578
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -6.213264
• LogD (pH = 7.4): -4.030589
• Log P: -2.0527775
• Molar Refractivity: 23.8311 cm^3
• Polarizability: 9.931533 Å^3
• Polar Surface Area: 72.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.237

Product Information

• Purity: 95%