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

• ChemBase ID: 796506
• Molecular Formular: C3H12Cl2N2
• Molecular Mass: 147.04678
• Monoisotopic Mass: 146.03775375
• SMILES: Cl.Cl.C([C@H](C)N)N
• Canonical SMILES: NC[C@@H](N)C.Cl.Cl
• InChI: InChI=1S/C3H10N2.2ClH/c1-3(5)2-4;;/h3H,2,4-5H2,1H3;2*1H/t3-;;/m0../s1
• InChIKey: AEIAMRMQKCPGJR-QTNFYWBSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-propane-1,2-diamine dihydrochloride
• IUPAC Traditional name: (2S)-propane-1,2-diamine dihydrochloride
• Synonyms: (S)-Propane-1,2-diaMine dihydrochloride

Database IDs

• CAS Number: 19777-66-3

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

Product Information

• Purity: 97%