Basic information
- CAS
41734-87-6- Standard SMILES
CC[NH+](CC)CCn1c2cc(Cl)ccc2c2ccc(OC)cc21.O=C([O-])C(=O)O- InChIKey
TWLNPRLUHNFDCS-UHFFFAOYSA-N- Molecular formula
- C21H25ClN2O5
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 420.1451996
Names & identifiers
- Preferred name
- Carbazole, 2-chloro-9-(2-diethylaminoethyl)-7-methoxy-, oxalate
- IUPAC
- 2-(2-chloro-7-methoxycarbazol-9-yl)ethyl-diethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
41734-87-6CARBAZOLE, 2-CHLORO-9-(2-DIETHYLAMINOETHYL)-7-METHOXY-, OXALATE2-Chloro-9-(2-diethylaminoethyl)-7-methoxycarbazole oxalateDTXSID001945549H-Carbazol-9-ethanamine, 2-chloro-N,N-diethyl-7-methoxy-, oxalateEthylamine, 2-(2-chloro-7-methoxycarbazol-9-yl)-N,N-diethyl-, oxalateRefChem:333261DTXCID401170452-(2-Chloro-7-methoxy-9H-carbazol-9-yl)-N,N-diethylethan-1-aminium hydrogen ethanedioate
Database identifiers
- CAS
41734-87-6- PubChem CID
- 39014
- DTXSID
DTXSID00194554
Properties
Computed structural properties
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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