Dodecyl 6-aminocaproate
Basic information
- CAS
39874-56-1- Standard SMILES
CCCCCCCCCCCCOC(=O)CCCCCN- InChIKey
HOBFNYJWHAJAHL-UHFFFAOYSA-N- Molecular formula
- C18H37NO2
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 299.28242942
Overview
a transdermal penetration enhancing agent
Names & identifiers
- Preferred name
- Dodecyl 6-aminocaproate
- IUPAC
- dodecyl 6-aminohexanoate
- English name
- dodecyl 6-aminocaproate
- Molecular formula
- C18H37NO2
- Molecular weight
- 299.49
Names & synonyms
Dodecyl 6-aminocaproateDDEAC39874-56-1Dodecyl epsilon-aminocaproateepsilon-Aminocaproate 1-dodecyl esterDTXSID20192916RefChem:135484DTXCID60115407dodecyl 6-aminohexanoateCHEMBL1098834SCHEMBL23671936Hexanoic acid, 6-amino-, dodecyl ester
Database identifiers
- CAS
39874-56-1- PubChem CID
- 170251
- DTXSID
DTXSID20192916- ChEMBL
CHEMBL1098834- Nikkaji
- J291.183C
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 384 · 384.0±25.0 °C(Predicted)
- Density
- 0.899 · 0.899±0.06 g/cm3(Predicted)
- pka
- 10.51 · 10.51±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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