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| CAS No.: | 32833-96-8 |
|---|---|
| Name: | N,N-DIMETHYLOXAMICACID |
| Molecular Structure: | |
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| Formula: | C4H7NO3 |
| Molecular Weight: | 117.104 |
| Synonyms: | N,N-Dimethyloxamic acid;Aceticacid, (dimethylamino)oxo- (9CI);2-(Dimethylamino)-2-(oxo)acetic acid;(Dimethylamino)(oxo)acetic acid;Oxamic acid, dimethyl- (6CI,8CI); |
| EINECS: | 674-326-2 |
| Density: | 1.251 g/cm3 |
| Melting Point: | 114-118 °C |
| Boiling Point: | 210.8 °C at 760 mmHg |
| Flash Point: | 81.3 °C |
| PSA: | 57.61000 |
| LogP: | -0.84080 |
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Specification
The Acetic acid,2-(dimethylamino)-2-oxo-, with the CAS registry number 32833-96-8, is also known as N,N-Dimethyloxamic acid. This chemical's molecular formula is C4H7NO3 and molecular weight is 117.103. What's more, its IUPAC name is 2-(dimethylamino)-2-oxoacetic acid.
Physical properties of Acetic acid,2-(dimethylamino)-2-oxo- are: (1)ACD/LogP: -1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.04; (4)ACD/LogD (pH 7.4): -4.98; (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: 1; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 25.89 cm3; (15)Molar Volume: 93.5 cm3; (16)Polarizability: 10.26×10-24cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.251 g/cm3; (19)Flash Point: 81.3 °C; (20)Enthalpy of Vaporization: 49.26 kJ/mol; (21)Boiling Point: 210.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0748 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)C(=O)C(=O)O
(2)InChI: InChI=1S/C4H7NO3/c1-5(2)3(6)4(7)8/h1-2H3,(H,7,8)
(3)InChIKey: YKFGLGXRUVEMNF-UHFFFAOYSA-N