1H,2H,3H,4H-cyclopenta[b]indol-2-amine

• ChemBase ID: 289016
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: NC1Cc2c(C1)c1c([nH]2)cccc1
• Canonical SMILES: NC1Cc2c(C1)c1c([nH]2)cccc1
• InChI: InChI=1S/C11H12N2/c12-7-5-9-8-3-1-2-4-10(8)13-11(9)6-7/h1-4,7,13H,5-6,12H2
• InChIKey: FKWRARFTNIXGCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,2H,3H,4H-cyclopenta[b]indol-2-amine
• IUPAC Traditional name: 1H,2H,3H,4H-cyclopenta[b]indol-2-amine
• Synonyms: 1,2,3,4-Tetrahydrocyclopenta[b]indol-2-amine

Database IDs

• CAS Number: 1263284-26-9
• MDL Number: MFCD12924853
• PubChem SID: 180674547
• PubChem CID: 46835537

CALCULATED PROPERTIES

• Acid pKa: 16.94348
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -1.7419107
• LogD (pH = 7.4): -1.2041355
• Log P: 1.2773926
• Molar Refractivity: 53.3406 cm^3
• Polarizability: 21.782564 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%