Dansyl-L-phenylalanine
Basic information
- CAS
1104-36-5- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O)cccc12- InChIKey
GPIOGTIFRDHWSB-SFHVURJKSA-N- Molecular formula
- C21H22N2O4S
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.13002836
Names & identifiers
- Preferred name
- Dansyl-L-phenylalanine
- IUPAC
- (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-phenylpropanoic acid
- English name
- DANSYL-L-phenylalanine
- Molecular formula
- C21H22N2O4S
- Molecular weight
- 398.48
Names & synonyms
Dansyl-L-phenylalanine1104-36-5RefChem:1082963DansylphenylalanineMFCD000377305-Dimethylaminonaphthalene-1-sulfonyl-L-phenylalanineDns-Phe-OHN-Dansyl-L-phenylalanine(S)-2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acidHY-118349(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-phenylpropanoic acid2-(5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO)-3-PHENYL-PROPIONIC ACID
Show more names
DansyDANSYL-L-PHEDNS-phenylalanineN-Dns-L-PhenylalanineDansyl-(S)-phenylalanineDansyl-L-phenylalanine >
5-dimethylL-Phenylalanine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-orb1697574SCHEMBL4134328CHEMBL1230677AKOS015894385BS-23513SY070105
Database identifiers
- CAS
1104-36-5- PubChem CID
- 13734199
- ChEMBL
CHEMBL1230677- EC Number
- 214-165-3
- Nikkaji
- J208.363I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 625
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 604.7 · 604.7±65.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.17 · 3.17±0.10(Predicted)
- form
- powder to crystaline
- color
- White to Light yellow
- CAS DataBase Reference
- 1104 · 1104-36-5(CAS DataBase Reference)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29309090 · 29309090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- hs_code
- 29309090
- safety_code
- 24/25
Chemistry & industry
Applications
UsesDANSYL-L-PHENYLALANINE is used for the preparation of N-sulfonylamino acid derivatives as metalloproteinase inhibitors.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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