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| CAS No.: | 877-95-2 |
|---|---|
| Name: | N-ACETYL-2-PHENYLETHYLAMINE |
| Molecular Structure: | |
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| Formula: | C10H13NO |
| Molecular Weight: | 163.219 |
| Synonyms: | Acetamide,N-phenethyl- (6CI,7CI,8CI);N-(2-Phenylethyl)acetamide;N-(b-Phenylethyl)acetamide;N-2-Phenethylacetamide;N-Acetyl-2-phenylethylamine;N-Acetylphenethylamine;N-Phenethylacetamide;NSC 7177; |
| EINECS: | 212-897-8 |
| Density: | 1.012 g/cm3 |
| Melting Point: | 48-52 °C |
| Boiling Point: | 346.6 °C at 760 mmHg |
| Flash Point: | 204 °C |
| Appearance: | white to off-white low melting mass |
| Safety: | 24/25 |
| PSA: | 29.10000 |
| LogP: | 1.75610 |
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Specification
The Acetamide,N-(2-phenylethyl)-, with CAS registry number 877-95-2, has the systematic name of N-(2-phenylethyl)acetamide. Besides this, it is also called N-Acetyl-2-phenylethylamine. This chemical is a kind of white to off-white low melting mass. When use this chemical, avoid contact with skin and eyes. What's more, its classification code is Drug / Therapeutic Agent.
Physical properties of Acetamide,N-(2-phenylethyl)-: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.2; (6)ACD/BCF (pH 7.4): 4.2; (7)ACD/KOC (pH 5.5): 97.24; (8)ACD/KOC (pH 7.4): 97.24; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 48.69 cm3; (15)Molar Volume: 161.2 cm3; (16)Polarizability: 19.3×10-24cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.012 g/cm3; (19)Flash Point: 204 °C; (20)Enthalpy of Vaporization: 59.08 kJ/mol; (21)Boiling Point: 346.6 °C at 760 mmHg; (22)Vapour Pressure: 5.69E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCc1ccccc1)C
(2)InChI: InChI=1/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
(3)InChIKey: MODKMHXGCGKTLE-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
(5)Std. InChIKey: MODKMHXGCGKTLE-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 326mg/kg (326mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977. |