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| CAS No.: | 25025-06-3 |
|---|---|
| Name: | 4-ACETAMIDOPHENYLACETONITRILE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C10H10N2O |
| Molecular Weight: | 174.202 |
| Synonyms: | p-Acetotoluidide,a-cyano- (8CI);4-Acetylaminophenylacetonitrile;Cyano-N-(4-methylphenyl)acetamide;NSC 151986;p-Acetamidophenylacetonitrile; |
| Density: | 1.171 g/cm3 |
| Melting Point: | 82 °C |
| Boiling Point: | 410.8 °C at 760 mmHg |
| Flash Point: | 202.2 °C |
| Hazard Symbols: |
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| PSA: | 52.89000 |
| LogP: | 1.78408 |
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- Total:23 Page 1 of 1 1
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Specification
The 4-Acetamidophenylacetonitrile with the cas number 25025-06-3 is also called Acetamide,N-[4-(cyanomethyl)phenyl]-. Both the systematic name and IUPAC name are N-[4-(cyanomethyl)phenyl]acetamide. Its molecular formula is C10H10N2O. The product's category is Aromatic Nitriles. This chemical is irritant. While using this chemical, you should be very cautious.
The properties of the chemical are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.02; (6)ACD/BCF (pH 7.4): 1.02; (7)ACD/KOC (pH 5.5): 35.27; (8)ACD/KOC (pH 7.4): 35.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.1 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 49.98 cm3; (15)Molar Volume: 148.7 cm3; (16)Polarizability: 19.81×10-24cm3; (17)Surface Tension: 50.2 dyne/cm; (18)Enthalpy of Vaporization: 66.32 kJ/mol; (19)Vapour Pressure: 5.86×10-7 mmHg at 25°C.
Preparation: This chemical can be prepared by the reaction of (4-amino-phenyl)-acetonitrile and acetic acid anhydride. This reaction needs reagent pyridine.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)CC#N)C
(2)InChI: InChI=1/C10H10N2O/c1-8(13)12-10-4-2-9(3-5-10)6-7-11/h2-5H,6H2,1H3,(H,12,13)
(3)InChIKey: SPAOQNOLRMENDZ-UHFFFAOYAG