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Cas Database |
| Name |
N-(2,4-Dinitrophenyl)-6-aminohexanoic acid |
EINECS | N/A | ||
| CAS No. | 10466-72-5 | Density | 1.417±0.06 g/cm3(Predicted) | ||
| PSA | 140.97000 | LogP | 3.67930 | ||
| Solubility | N/A | Melting Point |
133 °C |
||
| Formula | C12H15N3O6 | Boiling Point | 532.5±50.0 °C(Predicted) | ||
| Molecular Weight | 297.268 | Flash Point | N/A | ||
| Transport Information | N/A | Appearance | N/A | ||
| Safety |
|
Risk Codes | N/A | ||
| Molecular Structure |
|
Hazard Symbols | N/A | ||
| Synonyms |
Hexanoicacid, 6-(2,4-dinitroanilino)- (6CI,7CI,8CI);6-(2,4-Dinitroanilino)caproicacid;DNP-e-amino-n-caproic acid;Dinitrophenyl-e-aminocaproicacid;N-(2,4-Dinitrophenyl)-6-aminocaproic acid;N-(2,4-Dinitrophenyl)-e-aminocaproic acid;NSC 89627;[(2,4-Dinitrophenyl)amino]caproic acid;e-2,4-Dinitrophenylaminocaproic acid; |
Article Data | 6 |
N-(2,4-Dinitrophenyl)-6-aminohexanoic acid Specification
The N-(2,4-Dinitrophenyl)-6-aminohexanoic acid with the cas number 10466-72-5 is also called Dnp-aminocaproic acid. The systematic name is Hexanoic acid, 6-((2,4-dinitrophenyl)amino)- and IUPAC name is 6-(2,4-dinitroanilino)hexanoic acid. This chemical is Ligand used in prosthetic-group-label immunoassay technique. It should be stored at −20°C.
Properties Computed from Structure: (1)XLogP3: 2.8; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 7; (4)Rotatable Bond Count: 7; (5)Exact Mass: 297.096085; (6)MonoIsotopic Mass: 297.096085; (7)Topological Polar Surface Area: 141; (8)Heavy Atom Count: 21; (9)Formal Charge: 0; (10)Complexity: 378; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)SMILES: c1([N+]([O-])=O)cc([N+]([O-])=O)ccc1NCCCCCC(=O)O
(2)InChI: InChI=1/C12H15N3O6/c16-12(17)4-2-1-3-7-13-10-6-5-9(14(18)19)8-11(10)15(20)21/h5-6,8,13H,1-4,7H2,(H,16,17)
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