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Cas Database |
| Name |
Acetamide,N-[4-(2-propen-1-yloxy)phenyl]- |
EINECS | 229-573-7 |
| CAS No. | 6622-73-7 | Density | 1.095 g/cm3 |
| PSA | 38.33000 | LogP | 2.28280 |
| Solubility | N/A | Melting Point |
90 °C |
| Formula | C11H13NO2 | Boiling Point | 377 °C at 760 mmHg |
| Molecular Weight | 191.23 | Flash Point | 181.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xn:Harmful; |
|
| Molecular Structure |
|
Hazard Symbols | R22:Harmful if swallowed.; |
| Synonyms |
Acetamide,N-[4-(2-propenyloxy)phenyl]- (9CI);Acetanilide, 4'-(allyloxy)- (6CI,7CI,8CI);4-Acetamido-1-allyloxybenzene;4-Acetamidophenyl allyl ether;4-Allyloxyacetanilide;4'-(Allyloxy)acetanilide;Allyl p-(acetylamino)phenylether;N-[4-(2-Propenyloxy)phenyl]acetamide;NSC 55077; |
Article Data | 30 |
Acetamide,N-[4-(2-propen-1-yloxy)phenyl]- Specification
The Acetamide,N-[4-(2-propen-1-yloxy)phenyl]-, with the CAS registry number 6622-73-7, is also known as 4'-Allyloxyacetanilide. Its EINECS registry number is 229-573-7. This chemical's molecular formula is C11H13NO2 and molecular weight is 191.22642. Its IUPAC name is called N-(4-prop-2-enoxyphenyl)acetamide. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties of Acetamide,N-[4-(2-propen-1-yloxy)phenyl]-: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 1.9; (3)ACD/LogD (pH 7.4): 1.9; (4)ACD/BCF (pH 5.5): 16.36; (5)ACD/BCF (pH 7.4): 16.36; (6)ACD/KOC (pH 5.5): 257.26; (7)ACD/KOC (pH 7.4): 257.3; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.556; (12)Molar Refractivity: 56.19 cm3; (13)Molar Volume: 174.6 cm3; (14)Surface Tension: 38.9 dyne/cm; (15)Density: 1.095 g/cm3; (16)Flash Point: 181.8 °C; (17)Enthalpy of Vaporization: 62.47 kJ/mol; (18)Boiling Point: 377 °C at 760 mmHg; (19)Vapour Pressure: 6.97E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1=CC=C(C=C1)OCC=C
(2)InChI: InChI=1S/C11H13NO2/c1-3-8-14-11-6-4-10(5-7-11)12-9(2)13/h3-7H,1,8H2,2H3,(H,12,13)
(3)InChIKey: UVGQOPZEALYXKP-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 480mg/kg (480mg/kg) | Bolletino della Societe Italiana di Biologia Sperimentale. Vol. 39, Pg. 873, 1963. |
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