CB 2201
Basic information
- CAS
17756-85-3- Standard SMILES
CCCCCc1ccc(CC(C)NC)cc1.O=C(O)/C=C\C(=O)O- InChIKey
PVJJINHWTDGWLT-BTJKTKAUSA-N- Molecular formula
- C19H29NO4
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.20965841
Names & identifiers
- Preferred name
- CB 2201
- IUPAC
- (Z)-but-2-enedioic acid;N-methyl-1-(4-pentylphenyl)propan-2-amine
Names & synonyms
17756-85-3RefChem:1081296CB 2201Amfepentorex maleateUNII-6CDX5AOC9G6CDX5AOC9GAmfepentorex maleate [WHO-DD]Phenethylamine, N,alpha-dimethyl-p-pentyl-, maleate25858-60-0Phenethylamine, N,alpha-dimethyl-p-pentyl-, maleate (1:1)2201 CB4-Pentyl-N,alpha-dimethylbenzeneethanamine (Z)-2-butenedioate (1:1)
Show more names
Benzeneethanamine, 4-pentyl-N,alpha-dimethyl-, (Z)-2-butenedioate (1:1)N-(Methyl-1 (pentyl-4 phenyl)-2 ethyl) N-methyl amine maleate [French]SCHEMBL31518758N-(Methyl-1 (pentyl-4 phenyl)-2 ethyl) N-methyl amine maleateQ27264483PHENETHYLAMINE, N,.ALPHA.-DIMETHYL-P-PENTYL-, MALEATEPHENETHYLAMINE, N,.ALPHA.-DIMETHYL-P-PENTYL-, MALEATE (1:1)
Database identifiers
- CAS
17756-85-3、25858-60-0- PubChem CID
- 6444786
- UNII
- 6CDX5AOC9G
Properties
Computed structural properties
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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