N-O-Nitrophenylsulfenyl-gamma-aminobutyric acid di(cyclohexyl)ammonium salt
N-cyclohexylcyclohexanamine;4-[(2-nitrophenyl)sulfanylamino]butanoic acid
Also Known As: NPS-GABA|N-O-Nitrophenylsulfenyl-gamma-aminobutyric acid di(cyclohexyl)ammonium salt|N-cyclohexylcyclohexanamine;4-[(2-nitrophenyl)sulfanylamino]butanoic acid|N-(2-Nitrophenylsulfenyl)--aminobutyric acid (dicyclohexylammonium) salt|N-(2-Nitrophenylsulfenyl)-|A-aminobutyric acid (dicyclohexylammonium) salt|N-cyclohexylcyclohexanamine; 4-[(2-nitrophenyl)sulfanylamino]butanoic acid|4-{[(2-Nitrophenyl)sulfanyl]amino}butanoic acid--N-cyclohexylcyclohexanamine (1/1)|N-(2-Nitrophenylsulfenyl)-gamma-aminobutyric acid (dicyclohexylammonium) salt, powder
| Molecular Formula | C22H35N3O4S |
|---|---|
| Molecular Weight | 437.23483 g/mol |
| LogP | 5.2977 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.23483 |
| Monoisotopic Mass | 437.23483 |
| Heavy Atoms | 30 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 104809-33-8 |
|---|---|
| SMILES | C1CCC(CC1)NC2CCCCC2.C1=CC=C(C(=C1)[N+](=O)[O-])SNCCCC(=O)O |
| InChIKey | DWPCVLOTBKFZQB-UHFFFAOYSA-N |
Product Overview
N-O-Nitrophenylsulfenyl-gamma-aminobutyric acid di(cyclohexyl)ammonium salt (CAS 104809-33-8), with molecular formula C22H35N3O4S and molecular weight 437.23483 g/mol. IUPAC: N-cyclohexylcyclohexanamine;4-[(2-nitrophenyl)sulfanylamino]butanoic acid.