(2-methylindolizin-3-yl)methanamine

• ChemBase ID: 118045
• Molecular Formular: C10H12N2
• Molecular Mass: 160.21568
• Monoisotopic Mass: 160.10004839
• SMILES: n12c(cc(c1CN)C)cccc2
• Canonical SMILES: NCc1c(C)cc2n1cccc2
• InChI: InChI=1S/C10H12N2/c1-8-6-9-4-2-3-5-12(9)10(8)7-11/h2-6H,7,11H2,1H3
• InChIKey: GWVLCKBWARLAQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylindolizin-3-yl)methanamine
• IUPAC Traditional name: (2-methylindolizin-3-yl)methanamine
• Synonyms: [(2-methylindolizin-3-yl)methyl]amine

Database IDs

• MDL Number: MFCD16653361
• PubChem SID: 162089444
• PubChem CID: 45496729

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7600415
• LogD (pH = 7.4): -0.5196654
• Log P: 1.1689508
• Molar Refractivity: 51.5328 cm^3
• Polarizability: 20.043747 Å^3
• Polar Surface Area: 30.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.43

Product Information

• Purity: 95+%