Basic information
- CAS
225233-99-8- Standard SMILES
CCCCC(=O)NC(C(=O)O)C(C)(C)SN=O- InChIKey
QCRZCAKMRYXQNT-UHFFFAOYSA-N- Molecular formula
- C10H18N2O4S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.09872823
Names & identifiers
- Preferred name
- S-Nitroso-N-valeryl-D,L-penicillamine
- IUPAC
- 3-methyl-3-nitrososulfanyl-2-(pentanoylamino)butanoic acid
- English name
- S-NITROSO-N-VALERYL-D,L-PENICILLAMINE
- Molecular formula
- C10H18N2O4S
- Molecular weight
- 262.33
Names & synonyms
snvpS-Nitroso-N-valeryl-D,L-penicillamine225233-99-83-methyl-3-nitrososulfanyl-2-(pentanoylamino)butanoic acid3-Methyl-3-(nitrosothio)-2-pentanamidobutanoic acidorb525660SCHEMBL17718101DTXSID30274459S-nitroso-N-valeryl-dl-penicillamine3-(nitrososulfanyl)-N-pentanoylvalinePD077369DB-231777
Show more names
Rasagiline Impurity 30Valine, 3-(nitrosothio)-N-(1-oxopentyl)-
Database identifiers
- CAS
225233-99-8- PubChem CID
- 5232
- DTXSID
DTXSID30274459
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 98 · 98-101°C
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- -86 °C · -86°C Freezer
- solubility
- Chloroform, Methanol
- form
- Solid
- pka
- 3.07 · 3.07±0.10(Predicted)
- color
- Pale Green
- Stability
- Temperature Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesExhibits higher lipophilicity and greater stability in solution than SNAP (Catalogue Number N522500). Its decompostion is accelerated by the presence of Cu(II) and cysteine
UsesExhibits higher lipophilicity and greater stability in solution than SNAP (N522500). Its decompostion is accelerated by the presence of Cu(II) and cysteine.
Suppliers5 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
ChemeGen 中国18818260767 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…