2-amino-3-(1H-indol-3-yl)propan-1-ol

• ChemBase ID: 270592
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: c1(c[nH]c2c1cccc2)CC(N)CO
• Canonical SMILES: OCC(Cc1c[nH]c2c1cccc2)N
• InChI: InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2
• InChIKey: UDQCRUSSQAXPJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-(1H-indol-3-yl)propan-1-ol
• IUPAC Traditional name: 2-amino-3-(1H-indol-3-yl)propan-1-ol
• Synonyms: 2-amino-3-(1H-indol-3-yl)propan-1-ol

Database IDs

• MDL Number: MFCD00069710
• PubChem SID: 164326502
• PubChem CID: 10684

CALCULATED PROPERTIES

• Acid pKa: 15.111899
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -2.1167984
• LogD (pH = 7.4): -1.0736475
• Log P: 0.8561025
• Molar Refractivity: 56.3354 cm^3
• Polarizability: 23.16657 Å^3
• Polar Surface Area: 62.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.572

Product Information

• Purity: 95%