Basic information
- CAS
20067-94-1- Standard SMILES
C[NH+](C)CC/C=C/c1ccccc1CCc1ccccc1.O=C([O-])/C=C/C(=O)O- InChIKey
MBSSHJGQLVTPPJ-BKENZMPASA-N- Molecular formula
- C24H29NO4
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.20965841
Names & identifiers
- Preferred name
- 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1)
- IUPAC
- dimethyl-[(E)-4-[2-(2-phenylethyl)phenyl]but-3-enyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Names & synonyms
3-BUTENYLAMINE, N,N-DIMETHYL-4-(o-PHENETHYLPHENYL)-, FUMARATE (1:1)20067-94-1RefChem:1067494N,N-Dimethyl-4-(o-phenethylphenyl)-3-butenylamine fumarate4-Dimethylamino-1-(2-(2-phenylethyl)phenyl)butene hydrogen fumarate4-Dimethylamino-1-(2-(2-phenylaethyl)phenyl)buten hydrogenfumarat [German]4-Dimethylamino-1-(2-(2-phenylaethyl)phenyl)buten hydrogenfumarat
Database identifiers
- CAS
20067-94-1- PubChem CID
- 6433751
Properties
Computed structural properties
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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