1-Trichloromethyl-1,2,3,4-tetrahydro-beta-carboline
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Basic information
- CAS
131384-80-0- Standard SMILES
ClC(Cl)(Cl)C1NCCc2c1[nH]c1ccccc21- InChIKey
DPPAKKMPHBZNQA-UHFFFAOYSA-N- Molecular formula
- C12H11Cl3N2
- Average molar mass
- 289.6 g/mol
- Monoisotopic mass
- 287.998781
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-Trichloromethyl-1,2,3,4-tetrahydro-beta-carboline
- IUPAC
- 1-(trichloromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
- English name
- 1-trichloromethyl-1,2,3,4-tetrahydro-beta-carboline
- Molecular weight
- 0
Names & synonyms
1-Tcmtc1-Trichloromethyl-1,2,3,4-tetrahydro-beta-carboline131384-80-0DTXSID70897166RefChem:907857DTXCID509089016649-90-71-(trichloromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole(R)-TaClo2,3,4,9-Tetrahydro-1-(trichloromethyl)-1H-pyrido[3,4-b]indolerac 1-Trichloromethyl-1,2,3,4-Tetrahydro-beta-carboline1-(Trichloromethyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole
Show more names
SCHEMBL8322885AHA779271H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-1-(trichloromethyl)-, (+-)-NS00075517(R)-1-Trichloromethyl-1,2,3,4-tetrahydro-?-carboline
Database identifiers
- CAS
131384-80-0、6649-90-7- PubChem CID
- 119183
- DTXSID
DTXSID70897166- Nikkaji
- J353.228C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
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Compound notes
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