4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)
Basic information
- CAS
56065-60-2- Standard SMILES
CCCC(N)(CC(C)C)CC(C)C.O=C(O)/C=C/C(=O)O- InChIKey
JAAKGKRWYAZMOT-WLHGVMLRSA-N- Molecular formula
- C16H31NO4
- Average molar mass
- 301.42 g/mol
- Monoisotopic mass
- 301.22530847
Names & identifiers
- Preferred name
- 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;2,6-dimethyl-4-propylheptan-4-amine
Names & synonyms
4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)56065-60-2RefChem:1070691LCG 216002,6-Dimethyl-4-propyl-4-heptanamine (E)-2-butenedioate (1:1)
Database identifiers
- CAS
56065-60-2- PubChem CID
- 6446262
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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