1-(pyridin-2-yl)propan-2-amine

• ChemBase ID: 19195
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(CC(N)C)cccc1
• Canonical SMILES: CC(Cc1ccccn1)N
• InChI: InChI=1S/C8H12N2/c1-7(9)6-8-4-2-3-5-10-8/h2-5,7H,6,9H2,1H3
• InChIKey: OKWKKGILOAMUGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)propan-2-amine
• IUPAC Traditional name: 1-(pyridin-2-yl)propan-2-amine
• Synonyms: (1-methyl-2-pyridin-2-ylethyl)amine; 1-Methyl-2-pyridin-2-yl-ethylamine; 1-(Pyridin-2-yl)propan-2-amine; 1-Methyl-2-(pyridin-2-yl)ethylamine; 2-(2-Aminoprop-1-yl)pyridine

Database IDs

• CAS Number: 51038-40-5
• MDL Number: MFCD03011600
• PubChem SID: 160982502
• PubChem CID: 16494787

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4063876
• LogD (pH = 7.4): -1.7161065
• Log P: 0.6164015
• Molar Refractivity: 40.9705 cm^3
• Polarizability: 16.420418 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 98%