4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate
Basic information
- CAS
102417-94-7- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(N=C=S)cc3)cccc12- InChIKey
MZGXHCHKGRQLHR-UHFFFAOYSA-N- Molecular formula
- C19H17N3O2S2
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.07621914
Overview
used for micro-sequencing polypeptides; structure given in first source
Names & identifiers
- Preferred name
- 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate
- IUPAC
- 5-(dimethylamino)-N-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide
- English name
- Dansylamino-pitc
- Molecular formula
- C19H17N3O2S2
- Molecular weight
- 383.49
Names & synonyms
Dansylamino-pitc102417-94-74-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanateDnsapitcDTXSID60145062RefChem:516489DTXCID00675535-(dimethylamino)-N-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide1-Naphthalenesulfonamide, 5-(dimethylamino)-N-(4-isothiocyanatophenyl)-MFCD00077739Dansylamino-PITC [Fluorescent Coupling Reagent for Edman Degradation]SCHEMBL4343355
Show more names
DansylaMino-PITC 4-(DANSYLAMINO)PHENYL ISOTHIOCYANATE4-(5-DIMETHYLAMINONAPHTH.-1-SULF.AMINO)&5-(DiMethylaMino)-N-(4-isothiocyanatophenyl)-fluorescentcouplingreagentforedmandegradation]4-(Dansylamino)phenyl isothiocyanate, DNSAPITC4-(5-dimethylaminonaphth.-1-sulf.amino) phe. isothiocyanate
SCHEMBL30635330MZGXHCHKGRQLHR-UHFFFAOYSA-MZGXHCHKGRQLHR-UHFFFAOYSA-NAKOS015894724AS-72783BP-41790A5354D88573
Database identifiers
- CAS
102417-94-7- PubChem CID
- 128100
- DTXSID
DTXSID60145062- EC Number
- 683-077-9
- Nikkaji
- J382.940E
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 617
Physicochemical properties
- Melting point
- 125 · 125-128 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Acetonitrile, DMSO, Methanol
- form
- Solid
- color
- Pale Yellow Green
- Stability
- -20 °C · Light Sensitive; Store at -20°C and Desicate.
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 317 · H317-H334
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P261-P285-P304+P341-P342+P311-P501
- Hazard Codes
- Xn
- Risk Statements
- 42 · 42
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 8 · 8-10-23
- HS Code
- 29350090 · 29350090
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- F
- 8-10-23
- wgk
- 3
- hs_code
- 29350090
- risk_code
- 42
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 22-24/25
- Hazard statements
- H317-H334
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P261-P285-P304+P341-P342+P311-P501
Chemistry & industry
Applications
UsesA fluorescent PITC homologue Edman-type reagent with similar coupling efficiency and repetitive degradation yield to those of PITC. Naphthalene derivatives may be particularly useful for preparing fluorescent drug or ligand analogues that are expected to bind to hydrophobic sites in proteins or membranes. The lipophilicity of these reagents may also facilitate the labelling of sites within the membrane-spanning portions of cellular proteins.Fluorescence: max. Abs. l = 335nm, max. Em. l = 536nm (in methanol)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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