Basic information
- CAS
80459-15-0- Standard SMILES
CCCN(CCCS(=O)(=O)O)c1ccc(N=O)c(O)c1- InChIKey
FNTOMPCYJCXKDL-UHFFFAOYSA-N- Molecular formula
- C12H18N2O5S
- Average molar mass
- 302.35 g/mol
- Monoisotopic mass
- 302.09364285
Overview
See also: Nitroso Psap (annotation moved to).
Names & identifiers
- Preferred name
- 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid
- IUPAC
- 3-(3-hydroxy-4-nitroso-N-propylanilino)propane-1-sulfonic acid
- English name
- 2-NITROSO-5-(N-PROPYL-3-SULFOPROPYLAMINO)PHENOL
- Molecular formula
- C12H18N2O5S
- Molecular weight
- 302.35
Names & synonyms
80459-15-0Nitroso-PSAP3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid3-(3-hydroxy-4-nitroso-N-propylanilino)propane-1-sulfonic acidorb2565671SCHEMBL2266611SCHEMBL29606616DTXSID803980783-[(3-hydroxy-4-nitrosophenyl)(propyl)amino]propane-1-sulfonic acidDB-056438HY-157926CS-1009471
Show more names
2-Nitroso-5-[propyl(3-sulfopropyl)amino]phenol2-NITROSO-5-(N-PROPYL-3-SULFOPROPYLAMINO)PHENOL2-Nitroso-5-[N-n-propyl-N-(3-sulfopropy)amino]phenol2-Nitroso-5-[N-propyl-N-(3-sulfopropyl)-amino]-phenol2-Nitroso-5-[N-n-propyl-N-(3-sulfopropyl)amino]phenol3-(3-HYDROXY-4-NITROSO-N-PROPYLANILINO) PROPANESULFONIC ACID2-Nitroso-5-(N-propyl-3-sulfopropylamino)phenol, Nitroso-PSAP3-(3-hydroxy-4-nitroso-N-propylanilino)-1-propanesulfonic acid3-[Propyl(3-hydroxy-4-nitrosophenyl)amino]-1-propanesulfonic acid
T870132-nitroso-5-(n-propyl-n-sulfopropylamino) phenol2-Nitroso-5-[N-n-propyl-N-(3-sulfopropyl)amino]phenol (Nitroso-PSAP)
Database identifiers
- CAS
80459-15-0- PubChem CID
- 3935797
- DTXSID
DTXSID80398078- Nikkaji
- J227.793J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 165 · 165~170℃ (dec.)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 1.73 · 1.73±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Safety Statements
- 22 · 22-24/25
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesNitroso-PSAP is a sensitive and specific chromogenic reagent for iron (Fe2+), which is used for the colorimetric determination of iron in blood after mineralization with periodic acid. TNitroso-PSAP chelates with iron (Fe2+) to produce a green complex (λmax=756 nm, Epsilon = 4.5 x 10 4 dm 3 mol 1 cm 1 )[1][2].
Suppliers2 total
重庆渝恩素能科技有限公司13883023934; 13883023934 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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