- 4-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid
- 4-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)amino)butanoic acid
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| Name |
4-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid |
EINECS | N/A |
| CAS No. | 131147-93-8 | Density | 1.255g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H18 N2 O4 | Boiling Point | 576.6°C at 760 mmHg |
| Molecular Weight | 278.34 | Flash Point | 302.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intravenous route. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
4-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid Chemical Properties
Molecule structure of 4-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid (CAS NO.131147-93-8) :
IUPAC Name: 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-oxobutanoic acid
Molecular Weight: 278.30372 g/mol
Molecular Formula: C14H18N2O4
Density: 1.255 g/cm3
Boiling Point: 576.6 °C at 760 mmHg
Flash Point: 302.5 °C
Molar Volume: 221.6 cm3
Polarizability: 29.29*10-24 cm3
Surface Tension: 53.7 dyne/cm
Enthalpy of Vaporization: 90.82 kJ/mol
Vapour Pressure: 3.89E-14 mmHg at 25 °C
XLogP3-AA: 0.6
H-Bond Donor: 3
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Tautomer Count: 4
Exact Mass: 278.126657
MonoIsotopic Mass: 278.126657
Topological Polar Surface Area: 95.5
Heavy Atom Count: 20
Complexity: 360
Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CCC(=O)O
InChI: InChI=1S/C14H18N2O4/c1-9-4-3-5-10(2)14(9)16-12(18)8-15-11(17)6-7-13(19)20/h3-5H,6-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKey of 4-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid (CAS NO.131147-93-8) : ZHXJTQUJLICXAK-UHFFFAOYSA-N
4-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid Toxicity Data With Reference
| 1. | ivn-mus LD50:>1 g/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 44 (1994),211. |
4-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid Safety Profile
Moderately toxic by intravenous route. When heated to decomposition it emits toxic vapors of NOx.
4-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid Specification
4-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid (CAS NO.131147-93-8) is also called Butanoic acid, 4-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxo- .
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