Basic information
- CAS
6582-31-6- Standard SMILES
CCCCCCCCCCCCNCCCNC(C)CC(=O)O- InChIKey
KRGUCURBMCFAOW-UHFFFAOYSA-N- Molecular formula
- C19H40N2O2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.30897852
Names & identifiers
- Preferred name
- Dapabutan
- IUPAC
- 3-[3-(dodecylamino)propylamino]butanoic acid
- English name
- 3-[[3-(dodecylamino)propyl]amino]butyric acid
- Molecular formula
- C19H40N2O2
- Molecular weight
- 328.53
Names & synonyms
Dapabutan6582-31-6Dapabutan [INN]3-[3-(dodecylamino)propylamino]butanoic acid1R0Y7O07NFDodecylaminopropyl-beta-aminobutyric acid3-((3-(Dodecylamino)propyl)amino)butanoic acid3-{[3-(dodecylamino)propyl]amino}butanoic acidUNII-1R0Y7O07NFDapabutanoEINECS 229-510-33-((3-(Dodecylamino)propyl)amino)butyric acid
Show more names
3-[[3-(dodecylamino)propyl]amino]butyric acidButanoic acid, 3-[[3-(dodecylamino)propyl]amino]-
DAPABUTAN [WHO-DD]orb2646080CHEMBL2104206SCHEMBL30444141DTXSID20863912KRGUCURBMCFAOW-UHFFFAOYSA-NHY-164003CS-1096851
Database identifiers
- CAS
6582-31-6- PubChem CID
- 65586
- DTXSID
DTXSID20863912- ChEMBL
CHEMBL2104206- UNII
- 1R0Y7O07NF
- EC Number
- 229-510-3
- Nikkaji
- J225.201E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 462.9 · 462.9±30.0 °C(Predicted)
- Density
- 0.925 · 0.925±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.14(Predicted)
- FDA UNII
- 1 R0Y7O07NF · 1R0Y7O07NF
Chemistry & industry
Applications
UsesDapabutan is an antimicrobial agent with activity against Gram-positive bacteria[1].
Suppliers2 total
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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