(propan-2-yl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 143766
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: CC(C)NCc1cccnc1
• Canonical SMILES: CC(NCc1cccnc1)C
• InChI: InChI=1S/C9H14N2/c1-8(2)11-7-9-4-3-5-10-6-9/h3-6,8,11H,7H2,1-2H3
• InChIKey: CRYXHQBSIQUCFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (propan-2-yl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: isopropyl(pyridin-3-ylmethyl)amine
• Synonyms: N-(Pyridin-3-ylmethyl)propan-2-amine; N-(pyridin-3-ylmethyl)propan-2-amine; propan-2-yl(pyridin-3-ylmethyl)amine

Database IDs

• CAS Number: 19730-12-2
• MDL Number: MFCD00716868
• PubChem SID: 162237983
• PubChem CID: 3816145

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0685675
• LogD (pH = 7.4): -0.8851591
• Log P: 1.0873052
• Molar Refractivity: 46.3165 cm^3
• Polarizability: 18.343237 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.851

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C9H14N2

DETAILS

Sigma Aldrich - CBR00082

Other Notes
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Legal Information
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