(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-amine

• ChemBase ID: 293878
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: N[C@@H]1CCc2[nH]c3c(cccc3)c2C1
• Canonical SMILES: N[C@@H]1CCc2c(C1)c1ccccc1[nH]2
• InChI: InChI=1S/C12H14N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,8,14H,5-7,13H2/t8-/m1/s1
• InChIKey: UFRCIKMHUAOIAT-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 116650-33-0
• MDL Number: MFCD09955591
• PubChem SID: 180679409
• PubChem CID: 45359140

CALCULATED PROPERTIES

• Acid pKa: 17.093092
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -1.222959
• LogD (pH = 7.4): -0.6517489
• Log P: 1.7947553
• Molar Refractivity: 57.9852 cm^3
• Polarizability: 23.629814 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%