methyl[1-(pyridin-2-yl)propan-2-yl]amine

• ChemBase ID: 16961
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1(CC(NC)C)ccccn1
• Canonical SMILES: CNC(Cc1ccccn1)C
• InChI: InChI=1S/C9H14N2/c1-8(10-2)7-9-5-3-4-6-11-9/h3-6,8,10H,7H2,1-2H3
• InChIKey: LRCYOGDMXYPZAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyridin-2-yl)propan-2-yl]amine
• IUPAC Traditional name: methyl[1-(pyridin-2-yl)propan-2-yl]amine
• Synonyms: N-Methyl-1-pyridin-2-ylpropan-2-amine; Methyl-(1-methyl-2-pyridin-2-yl-ethyl)-amine; N-methyl-1-pyridin-2-ylpropan-2-amine

Database IDs

• CAS Number: 55496-56-5
• MDL Number: MFCD07643178
• PubChem SID: 160980268
• PubChem CID: 203877

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.170617
• LogD (pH = 7.4): -1.3435297
• Log P: 1.0489819
• Molar Refractivity: 45.7451 cm^3
• Polarizability: 18.266808 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C9H14N2

DETAILS

Sigma Aldrich - CBR00462

Other Notes
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Legal Information
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