Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1)
Basic information
- CAS
25858-62-2- Standard SMILES
CCCCc1ccc(CC(C)NC)cc1.O=C(O)/C=C/C(=O)O- InChIKey
FFIZWNVOMFSLMJ-WLHGVMLRSA-N- Molecular formula
- C18H27NO4
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.19400834
Names & identifiers
- Preferred name
- Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-(4-butylphenyl)-N-methylpropan-2-amine
Names & synonyms
Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1)25858-62-2RefChem:10784342200 CB4-Butyl-N,alpha-dimethylbenzeneethanamine (E)-2-butenedioate (1:1)N-(Methyl-1 (butyl-4 phenyl)-2 ethyl) N-methyl amine fumarate [French]SCHEMBL29810183N-(Methyl-1 (butyl-4 phenyl)-2 ethyl) N-methyl amine fumarate
Database identifiers
- CAS
25858-62-2- PubChem CID
- 6445249
Properties
Computed structural properties
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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