Basic information
- CAS
40494-48-2- Standard SMILES
C[NH+](C)CCOC1(c2ccccc2)CCCCc2ccccc21.O=C([O-])C(=O)O- InChIKey
YXYCLIHVHKFXIZ-UHFFFAOYSA-N- Molecular formula
- C23H29NO5
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.20457303
Names & identifiers
- Preferred name
- Ethanamine, N,N-dimethyl-2-((6,7,8,9-tetrahydro-5-phenyl-5H-benzocyclohepten-5-yl)oxy)-, ethandioate (1:1)
- IUPAC
- dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium;2-hydroxy-2-oxoacetate
Names & synonyms
40494-48-2Ethanamine, N,N-dimethyl-2-((6,7,8,9-tetrahydro-5-phenyl-5H-benzocyclohepten-5-yl)oxy)-, ethandioate (1:1)RefChem:339885
Database identifiers
- CAS
40494-48-2- PubChem CID
- 38490
Properties
Computed structural properties
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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