6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole

Base Information

• Chemical Name: 6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
• CAS No.: 15923-78-1
• Molecular Formula: C₁₃H₁₆N₂
• Molecular Weight: 200.283
• Hs Code.: 2933990090
• UNII: J7HPJ854EA
• DSSTox Substance ID: DTXSID001028489
• Nikkaji Number: J383.807B
• Wikipedia: PNU-22394
• Wikidata: Q7119897
• Pharos Ligand ID: PLRWW8JMB135
• ChEMBL ID: CHEMBL6557
• Mol file: 15923-78-1.mol

Synonyms:PNU-22394;J7HPJ854EA;15923-78-1;UNII-J7HPJ854EA;CHEMBL6557;6-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;1,2,3,4,5,6-Hexahydro-6-methylazepino(4,5-b)indole;6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole;Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-6-methyl-;6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole;6-Methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride;1,2,3,4,5,6-Hexahydro-6-methylazepino[4,5-b]indole;D04QRS;SCHEMBL5364550;CHEBI:92297;DTXSID001028489;BDBM50130095;Q7119897;BRD-K16551401-003-01-8;BRD-K16551401-003-02-6

Chemical Property of 6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole

Chemical Property:

• Vapor Pressure: 4.14E-07mmHg at 25°C
• Boiling Point: 409.7°Cat760mmHg
• PKA: 10.73±0.20(Predicted)
• Flash Point: 201.6°C
• PSA: 16.96000
• Density: g/cm³
• LogP: 2.99730
• Storage Temp.: Desiccate at +4°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 200.131348519
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

PNU 22394 hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(CCNCC2)C3=CC=CC=C31
• Uses: PNU 22394 is a potent SR-2C agonist and partial SR-2A/SR-2B agonist. Central nervous system sedative. A tryptamine derivative which has hyperthermic effects.

Technology Process of 6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole

There total 1 articles about 6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole 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:

→ 1,2,3,4,5,6-hexahydro-6-methylazepino[4,5-b]indole (15923-78-1)

Guidance literature:

Indol (I, R=H, R'=H), MeI;