(2S)-propane-1,2-diamine hydrochloride

• ChemBase ID: 238399
• Molecular Formular: C3H11ClN2
• Molecular Mass: 110.58584
• Monoisotopic Mass: 110.06107604
• SMILES: Cl.N[C@H](CN)C
• Canonical SMILES: NC[C@@H](N)C.Cl
• InChI: InChI=1S/C3H10N2.ClH/c1-3(5)2-4;/h3H,2,4-5H2,1H3;1H/t3-;/m0./s1
• InChIKey: NDCKJWQCEZPQOJ-DFWYDOINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-propane-1,2-diamine hydrochloride
• IUPAC Traditional name: (2S)-propane-1,2-diamine hydrochloride
• Synonyms: (2S)-propane-1,2-diamine hydrochloride

Database IDs

• MDL Number: MFCD01862631
• PubChem SID: 164294309
• PubChem CID: 71756164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.630061
• LogD (pH = 7.4): -3.5205479
• Log P: -1.0058676
• Molar Refractivity: 22.2874 cm^3
• Polarizability: 9.319206 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.713

Product Information

• Purity: 95%