pyrrolidin-2-ylmethanamine dihydrochloride

• ChemBase ID: 289375
• Molecular Formular: C5H14Cl2N2
• Molecular Mass: 173.08406
• Monoisotopic Mass: 172.05340382
• SMILES: NCC1NCCC1.Cl.Cl
• Canonical SMILES: NCC1CCCN1.Cl.Cl
• InChI: InChI=1S/C5H12N2.2ClH/c6-4-5-2-1-3-7-5;;/h5,7H,1-4,6H2;2*1H
• InChIKey: QZRLFKCODRAOAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrrolidin-2-ylmethanamine dihydrochloride
• IUPAC Traditional name: 2-pyrrolidinemethanamine dihydrochloride
• Synonyms: 2-(Aminomethyl)pyrrolidine dihydrochloride

Database IDs

• CAS Number: 6149-92-4
• MDL Number: MFCD11974897
• PubChem SID: 180674906
• PubChem CID: 57345807

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

Product Information

• Purity: 95+%