6-(pyrrolidin-1-yl)pyridin-3-amine

• ChemBase ID: 48315
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: c1(N2CCCC2)ncc(N)cc1
• Canonical SMILES: Nc1ccc(nc1)N1CCCC1
• InChI: InChI=1S/C9H13N3/c10-8-3-4-9(11-7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6,10H2
• InChIKey: PURAXXHYQSQHAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(pyrrolidin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(pyrrolidin-1-yl)pyridin-3-amine
• Synonyms: 6-(1-Pyrrolidinyl)-3-pyridinamine; 6-pyrrolidin-1-ylpyridin-3-amine; 6-(Pyrrolidin-1-yl)pyridin-3-amine; 1-(5-Aminopyridin-2-yl)pyrrolidine; 5-Amino-2-(pyrrolidin-1-yl)pyridine

Database IDs

• CAS Number: 92808-19-0
• MDL Number: MFCD03425745
• PubChem SID: 162053078
• PubChem CID: 3899172

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1153429
• LogD (pH = 7.4): 0.9237665
• Log P: 1.0349463
• Molar Refractivity: 50.8846 cm^3
• Polarizability: 18.343779 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 1.666

Safety Information

• Storage Warning: Harmful/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%