N-O-Nitrophenylsulfenyl-gamma-aminobutyric acid di(cyclohexyl)ammonium salt
Basic information
- CAS
104809-33-8- Standard SMILES
C1CCC(NC2CCCCC2)CC1.O=C(O)CCCNSc1ccccc1[N+](=O)[O-]- InChIKey
DWPCVLOTBKFZQB-UHFFFAOYSA-N- Molecular formula
- C22H35N3O4S
- Average molar mass
- 437.6 g/mol
- Monoisotopic mass
- 437.23482778
Names & identifiers
- Preferred name
- N-O-Nitrophenylsulfenyl-gamma-aminobutyric acid di(cyclohexyl)ammonium salt
- IUPAC
- N-cyclohexylcyclohexanamine;4-[(2-nitrophenyl)sulfanylamino]butanoic acid
- English name
- N-o-Nitrophenylsulfenyl-gamma-aminobutyric acid di(cyclohexyl)ammonium salt
- Molecular formula
- C22H35N3O4S
- Molecular weight
- 437.6
Names & synonyms
104809-33-8NSC319664N-O-Nitrophenylsulfenyl-gamma-aminobutyric acid di(cyclohexyl)ammonium saltN-cyclohexylcyclohexanamine;4-[(2-nitrophenyl)sulfanylamino]butanoic acidDTXSID70317652NSC-319664DB-0405634-{[(2-Nitrophenyl)sulfanyl]amino}butanoic acid--N-cyclohexylcyclohexanamine (1/1)N-(2-Nitrophenylsulfenyl)-gamma-aminobutyric acid (dicyclohexylammonium) salt, powderNPS-GABAN-O-nitrophenylsulfenyl-gamma*aminobutyric acidO-NPS-GAMMA-AMINOBUTYRIC ACIDDICYCLOHEXYLAMINE SALT
Show more names
N-(2-NITROPHENYLSULFENYL)--AMINOBUTYRIC ACID (DICYCLOHEXYLAMMONIUM)N-(2-NITROPHENYLSULFENYL)-G-AMINOBUTYRICACID(DICYCLOHEXYLAMMONIUM)SALTN-(2-Nitrophenylsulfenyl)-γ-aminobutyric acid (dicyclohexylammonium) saltn-(2-nitrophenylsulfenyl)-γ-aminobutyric acid (dicyclohexylammonium) saltN-(2-NITROPHENYLSULFENYL)-GAMMA-AMINOBUTYRIC ACID (DICYCLOHEXYLAMMONIUM) SALTN-(2-Nitrophenylsulfenyl)-γ-aMinobutyric acid (dicyclohexylaMMoniuM) salt powder
Database identifiers
- CAS
104809-33-8- PubChem CID
- 330586
- DTXSID
DTXSID70317652
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- form
- powder
- color
- yellow
- InChI
- 1S/C12H23N.C10H12N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;13-10(14)6-3-7-11-17-9-5-2-1-4-8(9)12(15)16/h11-13H,1-10H2;1-2,4-5,11H,3,6-7H2,(H,13,14)
- InChIKey
- DWPCVLOTBKFZQB-UHFFFAOYSA-N
- SMILES
- C1CCC(CC1)NC2CCCCC2.OC(=O)CCCNSc3ccccc3[N+]([O-])=O
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 26 · NA.26
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- Storage Class
- 11 - Combustible Solids
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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