7-methoxy-1-methyl-9H-pyrido[3,4-b]indole hydrochloride

• ChemBase ID: 102975
• Molecular Formular: C13H13ClN2O
• Molecular Mass: 248.70812
• Monoisotopic Mass: 248.07164073
• SMILES: Cl.COc1cc2c(cc1)c1ccnc(C)c1[nH]2
• Canonical SMILES: COc1ccc2c(c1)[nH]c1c2ccnc1C.Cl
• InChI: InChI=1S/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H
• InChIKey: VNPLYCKZIUTKJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole hydrochloride
• IUPAC Traditional name: harmine hydrochloride
• Synonyms: 7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole hydrochloride; HARMINE HYDROCHLORIDE

Database IDs

• CAS Number: 343-27-1
• EC Number: 206-443-8
• PubChem SID: 162091288
• PubChem CID: 5359389

CALCULATED PROPERTIES

• Acid pKa: 13.542986
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1702937
• LogD (pH = 7.4): 1.8238173
• Log P: 1.8469121
• Molar Refractivity: 62.37 cm^3
• Polarizability: 26.53343 Å^3
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 269-271°C (dec.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: MG9450000

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02150129

Hydrochloride
Purity: 98%
Off-white to pale green
Acts as a monoamine oxidase inhibitor

MP Biomedicals - 05210554

MP Biomedicals Rare Chemical collection