4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1)
Basic information
- CAS
56065-58-8- Standard SMILES
CCCC(C)(N)CC(C)CC.O=C(O)/C=C/C(=O)O- InChIKey
LQTGMEVNOZTFQD-WLHGVMLRSA-N- Molecular formula
- C14H27NO4
- Average molar mass
- 273.37 g/mol
- Monoisotopic mass
- 273.19400834
Names & identifiers
- Preferred name
- 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;4,6-dimethyloctan-4-amine
Names & synonyms
4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1)56065-58-8RefChem:1071331LCG 215954,6-Dimethyl-4-octanamine (E)-2-butenedioate (1:1)
Database identifiers
- CAS
56065-58-8- PubChem CID
- 6446261
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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