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CAS No.: | 4410-31-5 |
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Name: | DL-MANDELAMIDE |
Article Data: | 60 |
Molecular Structure: | |
Formula: | C8H9NO2 |
Molecular Weight: | 151.165 |
Synonyms: | α-Hydroxybenzylcarboxamide;α-Hydroxybenzeneacetamide;DL-Mandelicacid amide;NSC 16603;Racemic mandelamide;2-Phenylglycolamide;Amygdalinamide;Mandelamide(6CI,7CI,8CI); |
Density: | 1.246 g/cm3 |
Melting Point: | 133-137 °C (lit.) |
Boiling Point: | 345.5 °C at 760 mmHg |
Flash Point: | 162.7 °C |
Solubility: | Soluble in water |
Appearance: | white Crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36 |
PSA: | 63.32000 |
LogP: | 0.90560 |
The Benzeneacetamide, α-hydroxy-, with the CAS registry number of 4410-31-5, is also known as DL-Mandelicacid amide. It belongs to the product category of Benzene Series. This chemical's molecular formula is C8H9NO2 and molecular weight is 151.16. What's more, its IUPAC name is 2-Hydroxy-2-phenylacetamide. Besides, it can be used to produre Cefonicid.
Physical properties about Benzeneacetamide, α-hydroxy- are: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.29; (8)ACD/KOC (pH 7.4): 19.28; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 40.9 cm3; (15)Molar Volume: 121.3 cm3; (16)Surface Tension: 57 dyne/cm; (17)Density: 1.246 g/cm3; (18)Flash Point: 162.7 °C; (19)Enthalpy of Vaporization: 62.22 kJ/mol; (20)Boiling Point: 345.5 °C at 760 mmHg; (21)Vapour Pressure: 2.33E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)C(O)c1ccccc1
(2) InChI: InChI=1/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)
(3) InChIKey: MAGPZHKLEZXLNU-UHFFFAOYAR