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

• ChemBase ID: 35509
• Molecular Formular: C14H18N2
• Molecular Mass: 214.30612
• Monoisotopic Mass: 214.14699859
• SMILES: n1(c2c(c3c1ccc(c3)C)CCCC2N)C
• Canonical SMILES: Cc1ccc2c(c1)c1CCCC(c1n2C)N
• InChI: InChI=1S/C14H18N2/c1-9-6-7-13-11(8-9)10-4-3-5-12(15)14(10)16(13)2/h6-8,12H,3-5,15H2,1-2H3
• InChIKey: GKOUYJRKUOSKPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,9-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
• IUPAC Traditional name: 6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine
• Synonyms: 6,9-Dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

Database IDs

• CAS Number: 1119451-37-4
• MDL Number: MFCD12027302
• PubChem SID: 160998816
• PubChem CID: 25219701

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.1215247
• LogD (pH = 7.4): 0.9654043
• Log P: 2.8436677
• Molar Refractivity: 67.6151 cm^3
• Polarizability: 27.236069 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false