[2-(pyrrolidin-1-yl)pyridin-4-yl]methanamine

• ChemBase ID: 92872
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: N1(c2nccc(c2)CN)CCCC1
• Canonical SMILES: NCc1ccnc(c1)N1CCCC1
• InChI: InChI=1S/C10H15N3/c11-8-9-3-4-12-10(7-9)13-5-1-2-6-13/h3-4,7H,1-2,5-6,8,11H2
• InChIKey: BNVQNNKKUNFIND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyrrolidin-1-yl)pyridin-4-yl]methanamine
• IUPAC Traditional name: [2-(pyrrolidin-1-yl)pyridin-4-yl]methanamine
• Synonyms: (2-pyrrolidin-1-ylpyrid-4-yl)methylamine; (2-Pyrrolidin-1-ylpyrid-4-yl)methylamine 97%; (2-(Pyrrolidin-1-yl)pyridin-4-yl)methanamine; (2-pyrrolidin-1-ylpyridin-4-yl)methylamine

Database IDs

• CAS Number: 876316-38-0
• MDL Number: MFCD08435907
• PubChem SID: 162079570
• PubChem CID: 16227951

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0214794
• LogD (pH = 7.4): -0.960506
• Log P: 0.98964065
• Molar Refractivity: 54.6576 cm^3
• Polarizability: 20.57434 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52.5-55°C
• Hydrophobicity(logP): 0.945

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%; 95+%; 97%