Bufotenine monooxalate

Base Information

• Chemical Name: Bufotenine monooxalate
• CAS No.: 2963-79-3
• Molecular Formula: C14H18N2O5
• Molecular Weight: 294.30312
• Hs Code.: 2933990090
• European Community (EC) Number: 634-103-2
• NSC Number: 95093
• UNII: 4494BFP9LU
• Wikidata: Q27258727
• Mol file: 2963-79-3.mol

Synonyms:Bufotenine monooxalate;2963-79-3;Bufotenine hydrogen oxalate;NSC-95093;UNII-4494BFP9LU;4494BFP9LU;C12H16N2.C2H2O4;C12-H16-N2.C2-H2-O4;C12H16N2O.C2H2O4;Indole, 3-[2-(dimethylamino)ethyl]-, oxalate (1:1);NSC95093;1H-Indole-3-ethanamine, N,N-dimethyl-, ethanedioate (1:1);Indol-5-ol, oxalate;Bufotenine oxalate monohydrate;SCHEMBL5832731;BUFOTENINE OXALATE (1:1);1H-Indol-5-ol, ethanedioate (1:1) (salt);B-9350;BUFOTENINE MONOOXALATE SEROTININ AGONIST / HA;N,N-DIMETHYL-5-HYDROXYTRYPTAMINE MONOOXALATE;Q27258727;INDOL-5-OL, 3-(2-(DIMETHYLAMINO)ETHYL)-, OXALATE (1:1) (SALT)

Chemical Property of Bufotenine monooxalate

Chemical Property:

• Vapor Pressure: 9.89E-07mmHg at 25°C
• Boiling Point: 392.8°Cat760mmHg
• Flash Point: 191.3°C
• PSA: 113.86000
• Density: g/cm³
• LogP: 1.13320
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 294.12157168
• Heavy Atom Count: 21
• Complexity: 279

Purity/Quality:

99%min ^*data from raw suppliers

BUFOTENINE MONOOXALATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)O.C(=O)(C(=O)O)O

Technology Process of Bufotenine monooxalate

There total 1 articles about Bufotenine monooxalate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.0%

N,N-dimethyl-2-<5-(benzyloxy)-1H-indol-3-yl>ethylamine oxalate (101832-88-6) → bufotenine monooxalate (2963-79-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 4h; under 3040 Torr;

DOI:10.1021/jm9604890

upstream raw materials:

N,N-dimethyl-2-<5-(benzyloxy)-1H-indol-3-yl>ethylamine oxalate

Refernces