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| CAS No.: | 6948-01-2 |
|---|---|
| Name: | N-(1-Phenylethyl)formamide |
| Molecular Structure: | |
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| Formula: | C9H11NO |
| Molecular Weight: | 149.192 |
| Synonyms: | 1-phenylethylformamide;N-(phenylethyl)carboxamide;N-(α-Methylbenzyl)-formamide; |
| EINECS: | 230-112-7 |
| Density: | 1.024 g/cm3 |
| Melting Point: | 48.5 °C |
| Boiling Point: | 315.3 °C at 760 mmHg |
| Flash Point: | 182.6 °C |
| PSA: | 29.10000 |
| LogP: | 2.52040 |
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Specification
The N-(1-Phenylethyl)formamide, with the CAS registry number 6948-01-2, is also known as N-(α-Methylbenzyl)-formamide. Its EINECS number is 230-112-7. This chemical's molecular formula is C9H11NO and molecular weight is 149.19. What's more, its systematic name is N-(1-phenylethyl)formamide.
Physical properties of N-(1-Phenylethyl)formamide are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.51; (6)ACD/BCF (pH 7.4): 8.51; (7)ACD/KOC (pH 5.5): 161.12; (8)ACD/KOC (pH 7.4): 161.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 44.21 cm3; (15)Molar Volume: 145.6 cm3; (16)Polarizability: 17.53×10-24 cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.024 g/cm3; (19)Flash Point: 182.6 °C; (20)Enthalpy of Vaporization: 55.65 kJ/mol; (21)Boiling Point: 315.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000442 mmHg at 25°C.
Preparation: this chemical can be prepared by formamide, 1-phenyl-ethanone at the temperature of 165 °C. This reaction will need reagent water. The yield is about 96.5%.
formamide(1).jpg)
Uses of N-(1-Phenylethyl)formamide: it can be used to produce (+-)-methyl-(1-phenyl-ethyl)-amine. It will need reagent LiAlH4 and solvent tetrahydrofuran with the reaction time of 1 hour. The yield is about 80%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=CNC(c1ccccc1)C
(2)InChI: InChI=1/C9H11NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,10,11)
(3)InChIKey: CDHCCWRMWKZBGE-UHFFFAOYAM