2,3,4,9-tetrahydro-1H-carbazol-1-amine

• ChemBase ID: 256611
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c12[nH]c3c(c1CCCC2N)cccc3
• Canonical SMILES: NC1CCCc2c1[nH]c1c2cccc1
• InChI: InChI=1S/C12H14N2/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4,7,10,14H,3,5-6,13H2
• InChIKey: QRSCMXFSQFZBMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,9-tetrahydro-1H-carbazol-1-amine
• IUPAC Traditional name: 2,3,4,9-tetrahydro-1H-carbazol-1-amine
• Synonyms: 2,3,4,9-tetrahydro-1H-carbazol-1-amine

Database IDs

• MDL Number: MFCD09035289
• PubChem SID: 164312521
• PubChem CID: 10012671

CALCULATED PROPERTIES

• Acid pKa: 16.54105
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.8589288
• LogD (pH = 7.4): 0.2263573
• Log P: 2.1065702
• Molar Refractivity: 57.6772 cm^3
• Polarizability: 23.712772 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.057

Product Information

• Purity: 95%