Dansyl-DL-aspartic acid
Basic information
- CAS
42808-07-1- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)NC(CC(=O)O)C(=O)O)cccc12- InChIKey
DHOZTIJMCYMTMJ-UHFFFAOYSA-N- Molecular formula
- C16H18N2O6S
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.08855747
Names & identifiers
- Preferred name
- Dansyl-DL-aspartic acid
- IUPAC
- 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanedioic acid
- English name
- DANSYL-DL-aspartic acid di(cyclohexylammonium) salt
- Molecular formula
- C16H18N2O6S
- Molecular weight
- 366.39
Names & synonyms
dansyl-dl-aspartic acid42808-07-1RefChem:336618Dansyl-DL-aspartic acid di(cyclohexylammonium) salt5-(Dimethylamino)napthalene-1-sulfonyl-l-aspartic acid2-(5-(dimethylamino)naphthalene-1-sulfonamido)succinic acid(2R)-2-[5-(dimethylamino)naphthalene-1-sulfonamido]butanedioic acid(2S)-2-[5-(dimethylamino)naphthalene-1-sulfonamido]butanedioic acidSCHEMBL13884437DHOZTIJMCYMTMJ-UHFFFAOYSA-NDTXSID0013137972-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanedioic acid
Show more names
Aspartic acid, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
N-[5-(Dimethylamino)naphthalene-1-sulfonyl]aspartic acidN-([5-(Dimethylamino)-1-naphthyl]sulfonyl)aspartic acid #
Database identifiers
- CAS
42808-07-1- PubChem CID
- 536711
- DTXSID
DTXSID001313797
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 600
Physicochemical properties
- Boiling point
- 569.526 · 569.526±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.65 · 3.65
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesDansyl-DL-aspartic Acid is an amino acid, an amphoteric chiral model compound used in capillary electrophoresis and in enantioseparation of active pharmaceutical ingredients and other bio molecules.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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