Basic information
- CAS
18833-66-4- Standard SMILES
CN(C)CCSc1c2c(nc3ccccc13)CCCCC2- InChIKey
XKYCQIAYSYCXEE-UHFFFAOYSA-N- Molecular formula
- C18H24N2S
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.16601995
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 11-((2-(dimethylamino)ethyl)thio)-7,8,9,10-tetrahydro-
- IUPAC
- N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine
- English name
- 11-[[2-(Dimethylamino)ethyl]thio]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
- Molecular weight
- 0
Names & synonyms
18833-66-4BRN 14798616H-Cyclohepta(b)quinoline, 11-((2-(dimethylamino)ethyl)thio)-7,8,9,10-tetrahydro-DTXSID901721845-21-03-00530 (Beilstein Handbook Reference)11-((2-(Dimethylamino)ethyl)thio)-7,8,9,10-tetrahydro-6H-cyclohepta(b)quinoline11-[[2-(Dimethylamino)ethyl]thio]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolineRefChem:309533DTXCID8094675N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamineN,N-Dimethyl-2-[(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)sulfanyl]ethan-1-amine
Database identifiers
- CAS
18833-66-4- PubChem CID
- 29285
- DTXSID
DTXSID90172184- Nikkaji
- J75.304A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 41.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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