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(+/-)-Mandelamide

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Name

(+/-)-Mandelamide

EINECS N/A
CAS No. 4410-31-5 Density 1.246 g/cm3
PSA 63.32000 LogP 0.90560
Solubility Soluble in water Melting Point 133-137 °C (lit.)
Formula C8H9NO2 Boiling Point 345.5 °C at 760 mmHg
Molecular Weight 151.165 Flash Point 162.7 °C
Transport Information N/A Appearance white Crystalline powder
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 4410-31-5 (DL-MANDELAMIDE) Hazard Symbols HarmfulXn
Synonyms

α-Hydroxybenzylcarboxamide;α-Hydroxybenzeneacetamide;DL-Mandelicacid amide;NSC 16603;Racemic mandelamide;2-Phenylglycolamide;Amygdalinamide;Mandelamide(6CI,7CI,8CI);

Article Data 60

(+/-)-Mandelamide Specification

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

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