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Name |
Acetic acid,2-[(1-methylethyl)phenylamino]-2-oxo- |
EINECS | N/A |
CAS No. | 70628-36-3 | Density | 1.225 g/cm3 |
PSA | 57.61000 | LogP | 1.51260 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13NO3 | Boiling Point | 338.6 °C at 760 mmHg |
Molecular Weight | 207.23 | Flash Point | 158.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 43 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Aceticacid, [(1-methylethyl)phenylamino]oxo- (9CI);[Isopropyl(phenyl)amino](oxo)acetic acid;[(1-Methylethyl)phenylamino]oxo-acetic acid;Acetic acid, ((1-methylethyl)phenylamino)oxo-;N-(1-Methylethyl)-N-(phenyl)oxalamic acid;N-Isopropyl-N-phenyloxamic acid;AC1L4E6D;CID155385;2-Oxo-2-(N-propan-2-ylanilino)acetic acid;34151_RIEDEL; |
The Acetic acid,2-[(1-methylethyl)phenylamino]-2-oxo- with CAS registry number of 70628-36-3 is also known as [(1-Methylethyl)phenylamino]oxo-acetic acid. The IUPAC name is 2-Oxo-2-(N-propan-2-ylanilino)acetic acid. In addition, the formula is C11H13NO3 and the molecular weight is 207.23.
Physical properties about are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.82; (4)ACD/LogD (pH 7.4): -2.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 56.01 cm3; (15)Molar Volume: 169 cm3; (16)Polarizability: 22.2×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.225 g/cm3; (19)Flash Point: 158.6 °C; (20)Enthalpy of Vaporization: 61.43 kJ/mol; (21)Boiling Point: 338.6 °C at 760 mmHg; (22)Vapour Pressure: 3.77E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it may cause sensitisation by skin contact. During using it, wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)C(=O)N(c1ccccc1)C(C)C
2. InChI: InChI=1/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)
3. InChIKey: HYHJOUPYTUBFIX-UHFFFAOYAT
4. Std. InChI: InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)
5. Std. InChIKey: HYHJOUPYTUBFIX-UHFFFAOYSA-N