[6-(decylamino)-1H-indol-4-yl]methanol

• ChemBase ID: 105263
• Molecular Formular: C19H30N2O
• Molecular Mass: 302.4543
• Monoisotopic Mass: 302.23581359
• SMILES: CCCCCCCCCCNc1cc(CO)c2cc[nH]c2c1
• Canonical SMILES: CCCCCCCCCCNc1cc(CO)c2c(c1)[nH]cc2
• InChI: InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-9-11-20-17-13-16(15-22)18-10-12-21-19(18)14-17/h10,12-14,20-22H,2-9,11,15H2,1H3
• InChIKey: CHLOVPDKABYEDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(decylamino)-1H-indol-4-yl]methanol
• IUPAC Traditional name: [6-(decylamino)-1H-indol-4-yl]methanol
• Synonyms: 6-(N-DECYLAMINO)-4-HYDROXYMETHYLINDOLE

Database IDs

• CAS Number: 123597-55-7
• PubChem SID: 162092300
• PubChem CID: 3010

CALCULATED PROPERTIES

• Acid pKa: 15.117403
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 4.754907
• LogD (pH = 7.4): 4.76857
• Log P: 4.7687473
• Molar Refractivity: 95.6338 cm^3
• Polarizability: 37.60827 Å^3
• Polar Surface Area: 48.05 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02159578

(DHI)
Purity: 99%
Synthetic protein kinase C activator