(1R,2R)-cyclopropane-1,2-diamine dihydrochloride

• ChemBase ID: 294692
• Molecular Formular: C3H10Cl2N2
• Molecular Mass: 145.0309
• Monoisotopic Mass: 144.02210369
• SMILES: N[C@H]1[C@H](N)C1.Cl.Cl
• Canonical SMILES: N[C@@H]1C[C@H]1N.Cl.Cl
• InChI: InChI=1S/C3H8N2.2ClH/c4-2-1-3(2)5;;/h2-3H,1,4-5H2;2*1H/t2-,3-;;/m1../s1
• InChIKey: YWZISQGOINGERV-MRWDTFSLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-cyclopropane-1,2-diamine dihydrochloride
• IUPAC Traditional name: (1R,2R)-cyclopropane-1,2-diamine dihydrochloride
• Synonyms: (trans)-Cyclopropane-1,2-diamine dihydrochloride

Database IDs

• CAS Number: 3187-76-6
• MDL Number: MFCD12963694
• PubChem SID: 180680223
• PubChem CID: 12446106

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.590603
• LogD (pH = 7.4): -3.5428066
• Log P: -1.4144738
• Molar Refractivity: 20.1054 cm^3
• Polarizability: 8.58217 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%