(1H-indol-3-ylmethyl)dimethylamine hydrochloride

• ChemBase ID: 119933
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: c1(c[nH]c2c1cccc2)CN(C)C.Cl
• Canonical SMILES: CN(Cc1c[nH]c2c1cccc2)C.Cl
• InChI: InChI=1S/C11H14N2.ClH/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;/h3-7,12H,8H2,1-2H3;1H
• InChIKey: XJYDLXFETVVFTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1H-indol-3-ylmethyl)dimethylamine hydrochloride
• IUPAC Traditional name: gramine hydrochloride
• Synonyms: 1-(1H-indol-3-yl)-N,N-dimethylmethanamine hydrochloride

Database IDs

• PubChem SID: 162108155
• PubChem CID: 6454248

CALCULATED PROPERTIES

• Acid pKa: 15.973409
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3010347
• LogD (pH = 7.4): 0.14722463
• Log P: 2.0134046
• Molar Refractivity: 55.6872 cm^3
• Polarizability: 22.700798 Å^3
• Polar Surface Area: 19.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Genuine Natural Compounds