(pyrrolidin-3-yl)methanamine

• ChemBase ID: 797177
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: N1CC(CC1)CN
• Canonical SMILES: NCC1CNCC1
• InChI: InChI=1S/C5H12N2/c6-3-5-1-2-7-4-5/h5,7H,1-4,6H2
• InChIKey: OQCUGPQOZNYIMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pyrrolidin-3-yl)methanamine
• IUPAC Traditional name: pyrrolidin-3-ylmethanamine
• Synonyms: 3-(AMinoMethyl)pyrrolidine

Database IDs

• CAS Number: 67318-88-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -7.065562
• LogD (pH = 7.4): -5.671228
• Log P: -0.92411184
• Molar Refractivity: 30.1934 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: 97%