(2R)-pyrrolidin-2-ylmethanamine dihydrochloride

• ChemBase ID: 241813
• Molecular Formular: C5H14Cl2N2
• Molecular Mass: 173.08406
• Monoisotopic Mass: 172.05340382
• SMILES: N1[C@@H](CN)CCC1.Cl.Cl
• Canonical SMILES: NC[C@H]1CCCN1.Cl.Cl
• InChI: InChI=1S/C5H12N2.2ClH/c6-4-5-2-1-3-7-5;;/h5,7H,1-4,6H2;2*1H/t5-;;/m1../s1
• InChIKey: QZRLFKCODRAOAY-ZJIMSODOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-pyrrolidin-2-ylmethanamine dihydrochloride
• IUPAC Traditional name: (R)-pyrrolidin-2-ylmethylamine dihydrochloride
• Synonyms: (2R)-pyrrolidin-2-ylmethanamine dihydrochloride; (R)-Pyrrolidin-2-ylmethanamine dihydrochloride

Database IDs

• CAS Number: 119020-04-1
• MDL Number: MFCD11974899
• PubChem SID: 164297723
• PubChem CID: 13162057

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.5674543
• LogD (pH = 7.4): -3.8617754
• Log P: -0.5242977
• Molar Refractivity: 29.8544 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -0.231

Product Information

• Purity: 95%; 95+%