Basic information
- CAS
41734-85-4- Standard SMILES
COc1cccc2c1c1ccccc1n2CCC[NH+](C)C.O=C([O-])C(=O)O- InChIKey
WLKAPQROLQEIEH-UHFFFAOYSA-N- Molecular formula
- C20H24N2O5
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.16852187
Names & identifiers
- Preferred name
- Carbazole, 9-(3-dimethylaminopropyl)-4-methoxy-, oxalate
- IUPAC
- 2-hydroxy-2-oxoacetate;3-(4-methoxycarbazol-9-yl)propyl-dimethylazanium
Names & synonyms
41734-85-4CARBAZOLE, 9-(3-DIMETHYLAMINOPROPYL)-4-METHOXY-, OXALATE9-(3-Dimethylaminopropyl)-4-methoxycarbazole oxalate9H-Carbazol-9-propanamine, N,N-dimethyl-4-methoxy-, oxalateDTXSID40194553Propylamine, N,N-dimethyl-3-(4-methoxycarbazol-9-yl)-, oxalateRefChem:333298DTXCID801170443-(4-Methoxy-9H-carbazol-9-yl)-N,N-dimethylpropan-1-aminium hydrogen ethanedioate
Database identifiers
- CAS
41734-85-4- PubChem CID
- 39010
- DTXSID
DTXSID40194553
Properties
Computed structural properties
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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