1-(pyridin-3-yl)propan-1-amine

• ChemBase ID: 143913
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: CCC(c1cccnc1)N
• Canonical SMILES: CCC(c1cccnc1)N
• InChI: InChI=1S/C8H12N2/c1-2-8(9)7-4-3-5-10-6-7/h3-6,8H,2,9H2,1H3
• InChIKey: VQGKOCARCUCUMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-3-yl)propan-1-amine
• IUPAC Traditional name: 1-(pyridin-3-yl)propan-1-amine
• Synonyms: 1-(3-Pyridinyl)-1-propanamine; 1-(3-pyridinyl)-1-propanamine

Database IDs

• CAS Number: 60289-67-0
• MDL Number: MFCD09802326
• PubChem SID: 162238130
• PubChem CID: 19805435

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1642473
• LogD (pH = 7.4): -1.1853232
• Log P: 0.8204392
• Molar Refractivity: 41.3173 cm^3
• Polarizability: 16.496264 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H12N2

DETAILS

Sigma Aldrich - CBR00143

Other Notes
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Legal Information
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