((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)methylamine

Base Information

• Chemical Name: ((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)methylamine
• CAS No.: 912440-88-1
• Molecular Formula: C11H14BrNO2
• Molecular Weight: 272.14
• UNII: 8U6Z2MP6H7
• ChEMBL ID: CHEMBL379637
• DSSTox Substance ID: DTXSID201027451
• Pharos Ligand ID: SFBK2W7VM86G
• Wikidata: Q7669630
• Wikipedia: TCB-2
• Mol file: 912440-88-1.mol

Synonyms:TCB-2;912440-88-1;8U6Z2MP6H7;((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)methylamine;2C-BCB;UNII-8U6Z2MP6H7;CHEMBL379637;[(7R)-3-bromo-2,5-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine;Bicyclo(4.2.0)octa-1,3,5-triene-7-methanamine, 3-bromo-2,5-dimethoxy-,(7R);SCHEMBL15821675;DTXSID201027451;BDBM50194747;(7R)-3-Bromo-2,5-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-methanamine;Q7669630;((7R)-3-BROMO-2,5-DIMETHOXY-BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHANAMINE;1-[(7R)-3-bromo-2,5-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]methanamine

Chemical Property of ((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)methylamine

Chemical Property:

• PSA: 44.48000
• LogP: 2.76500
• Storage Temp.: Desiccate at +4°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 271.02079
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

99.0% ^*data from raw suppliers

TCB-2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C2=C1C(C2)CN)OC)Br
• Isomeric SMILES: COC1=CC(=C(C2=C1[C@@H](C2)CN)OC)Br
• Uses: TCB-2 is a serotonin 5-HT2A receptor agonist.