Name: N-(1-METHYLETHYL)-N-(PHENYL)OXALAMIC ACID
SKU: 70628-36-3

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Basic Information

Molecular Structure:
CAS No.:	70628-36-3
Name:	N-(1-METHYLETHYL)-N-(PHENYL)OXALAMIC ACID

Formula:	C₁₁H₁₃NO₃
Molecular Weight:	207.23
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;
Density:	1.225 g/cm³
Boiling Point:	338.6 °C at 760 mmHg
Flash Point:	158.6 °C
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37
PSA:	57.61000
LogP:	1.51260

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Specification

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 C₁₁H₁₃NO₃and 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