Capramide, 2,6-diamino-n-hexadecyl-
Basic information
- CAS
60209-20-3- Standard SMILES
CCCCCCCCCCCCCCCCNC(=O)C(N)CCCCN- InChIKey
LWEXAPVESMZHFG-UHFFFAOYSA-N- Molecular formula
- C22H47N3O
- Average molar mass
- 369.6 g/mol
- Monoisotopic mass
- 369.37191313
Names & identifiers
- Preferred name
- Capramide, 2,6-diamino-n-hexadecyl-
- IUPAC
- 2,6-diamino-N-hexadecylhexanamide
- English name
- (S)-2,6-Diamino-N-hexadecylhexanamide
- Molecular formula
- C22H47N3O
- Molecular weight
- 369.63
Names & synonyms
(S)-2,6-Diamino-N-hexadecylhexanamideHexanamide, 2,6-diamino-N-hexadecyl-, (S)-; (2S)-2,6-Diamino-N-hexadecylhexanamideSCHEMBL15275490DTXSID90975632LWEXAPVESMZHFG-UHFFFAOYSA-N2,6-Diamino-n-hexadecylhexanamide #Capramide, 2,6-diamino-n-hexadecyl-2,6-Diamino-N-hexadecylhexanimidic acidP-71LycetamineHexanamide, 2,6-diamino-N-hexadecyl-, (2S)-
Database identifiers
- CAS
60209-20-3- PubChem CID
- 43235
- DTXSID
DTXSID90975632
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 20
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 535.994 · 535.994±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.912 · 0.912±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.472 · 15.472±0.46(predicted)
- FDA UNII
- 853568 RI3 · V853568RI3
Chemistry & industry
Applications
UsesAntimicrobial (topical).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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