Dansyl-4-aminobutyric acid
Basic information
- CAS
1236-58-4- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)C(N)CCC(=O)O)cccc12- InChIKey
WAWGSYJPVPNMRU-UHFFFAOYSA-N- Molecular formula
- C16H20N2O4S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1143783
Names & identifiers
- Preferred name
- Dansyl-4-aminobutyric acid
- IUPAC
- 4-amino-4-[5-(dimethylamino)naphthalen-1-yl]sulfonylbutanoic acid
- English name
- dansyl-4-aminobutyric acid
- Molecular weight
- 336.41
Names & synonyms
Dansyl-4-aminobutyric acidDns-GABA1236-58-4Dansyl-gamma-aminobutyrateRefChem:1308804-amino-4-[5-(dimethylamino)naphthalen-1-yl]sulfonylbutanoic acidDTXSID009245504-Amino-4-[5-(dimethylamino)naphthalene-1-sulfonyl]butanoic acidButanoic acid, 4-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-
Database identifiers
- CAS
1236-58-4- PubChem CID
- 150902
- DTXSID
DTXSID00924550
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 554.076 · 554.076±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.584 · 4.584±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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