Einecs 231-653-1
Basic information
- CAS
7675-53-8- Standard SMILES
C1CCC(NC2CCCCC2)CC1.O=C(O)[C@@H]1CCCN1Sc1ccccc1[N+](=O)[O-]- InChIKey
CRIOJTHVCCENRP-NPULLEENSA-N- Molecular formula
- C23H35N3O4S
- Average molar mass
- 449.6 g/mol
- Monoisotopic mass
- 449.23482778
Names & identifiers
- Preferred name
- Einecs 231-653-1
- IUPAC
- N-cyclohexylcyclohexanamine;(2S)-1-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxylic acid
- English name
- N-o-Nitrophenylsulfenyl-L-proline di(cyclohexyl)ammonium salt
- Molecular formula
- C23H35N3O4S
- Molecular weight
- 449.61
Names & synonyms
7675-53-8EINECS 231-653-11-((2-Nitrophenyl)thio)-L-proline, compound with dicyclohexylamine(1:1)1-[(2-nitrophenyl)thio]-L-proline, N-cyclohexylcyclohexanamine (1:1)SCHEMBL2899744SCHEMBL2899745DTXSID10227569NS000460651-[(2-Nitrophenyl)sulfanyl]-L-proline--N-cyclohexylcyclohexanamine (1/1)N-(2-Nitrophenylsulfenyl)-L-proline (dicyclohexylammonium) salt, crystallineN-cyclohexylcyclohexanamine;(2S)-1-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxylic acidN-O-NPS-L-PRO DCHA SALT
Show more names
o-NPS-L-proline DCHA saltN-O-nitrophenylsulfenyl-L-proline dchaO-NPS-L-PROLINE DICYCLOHEXYLAMINE SALTN-O-NPS-L-PROLINE, DICYCLOHEXYLAMMONIUM SALTN-(2-NITROPHENYLSULFENYL)GLYCINE (DICYCLOHEXYLAMMONIUM)N-o-Nitrophenylsulfenyl-L-proline di(cyclohexyl)ammonium saltn-(2-nitrophenylsulfenyl)-l-proline (dicyclohexylammonium) saltN-Ortho-Nitrophenylsulfenyl-L-Proline Di(Cyclohexyl)Ammonium Salt1-[(2-nitrophenyl)thio]-L-proline, compound with dicyclohexylamine (1:1)
Database identifiers
- CAS
7675-53-8- PubChem CID
- 56842017
- DTXSID
DTXSID10227569- EC Number
- 231-653-1
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Melting point
- 151 · 151-154 °C
- storage temp.
- 20 °C · −20°C
- form
- crystalline
- color
- yellow
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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