2,3,4,9-tetrahydro-1H-carbazol-6-amine hydrochloride

• ChemBase ID: 255346
• Molecular Formular: C12H15ClN2
• Molecular Mass: 222.7139
• Monoisotopic Mass: 222.09237617
• SMILES: [nH]1c2c(c3c1ccc(c3)N)CCCC2.Cl
• Canonical SMILES: Nc1ccc2c(c1)c1CCCCc1[nH]2.Cl
• InChI: InChI=1S/C12H14N2.ClH/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;/h5-7,14H,1-4,13H2;1H
• InChIKey: IQYBYMUXGYHPFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,9-tetrahydro-1H-carbazol-6-amine hydrochloride
• IUPAC Traditional name: 6,7,8,9-tetrahydro-5H-carbazol-3-amine hydrochloride
• Synonyms: 2,3,4,9-tetrahydro-1H-carbazol-6-amine hydrochloride

Database IDs

• MDL Number: MFCD01739721
• PubChem SID: 164311256
• PubChem CID: 43423620

CALCULATED PROPERTIES

• Acid pKa: 18.10972
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.4519713
• LogD (pH = 7.4): 2.459335
• Log P: 2.4594297
• Molar Refractivity: 59.3586 cm^3
• Polarizability: 23.214571 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.477

Product Information

• Purity: 95%