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| CAS No.: | 91374-22-0 |
|---|---|
| Name: | 2-Methyl-3-nitro-N,N-dipropylphenylacetamide |
| Molecular Structure: | |
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| Formula: | C15H22N2O3 |
| Molecular Weight: | 278.351 |
| Synonyms: | 2-Methyl-3-nitro-N,N-dipropylbenzeneacetamide;2-(2-Methyl-3-nitrophenyl)-N,N-dipropylacetamide;2-(2-Methyl-3-nitrophenyl)-N,N-dipropylacetamid; |
| Density: | 1.096 g/cm3 |
| Melting Point: | 49-50 °C |
| Boiling Point: | 429.6 °C at 760 mmHg |
| Flash Point: | 213.6 °C |
| PSA: | 66.13000 |
| LogP: | 3.61750 |
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Specification
The Benzeneacetamide,2-methyl-3-nitro-N,N-dipropyl-, with the CAS registry number 91374-22-0, is also known as 2-Methyl-3-nitro-N,N-dipropylphenylacetamide. It belongs to the product categories of Pharmaceutical material and intermeidates; Medicine intermediate; Benzene derivates. This chemical's molecular formula is C15H22N2O3 and formula weight is 278.35. What's more, its systematic name is 2-(2-methyl-3-nitrophenyl)-N,N-dipropylacetamide.
Physical properties of Benzeneacetamide,2-methyl-3-nitro-N,N-dipropyl- are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 183.37; (5)ACD/BCF (pH 7.4): 183.37; (6)ACD/KOC (pH 5.5): 1451.1; (7)ACD/KOC (pH 7.4): 1451.11; (8)#H bond acceptors: 5; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 66.13 Å2; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 78.72 cm3; (14)Molar Volume: 253.7 cm3; (15)Surface Tension: 42.1 dyne/cm; (16)Density: 1.096 g/cm3; (17)Flash Point: 213.6 °C; (18)Enthalpy of Vaporization: 68.49 kJ/mol; (19)Boiling Point: 429.6 °C at 760 mmHg; (20)Vapour Pressure: 1.39E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Cc1c(cccc1CC(=O)N(CCC)CCC)[N+]([O-])=O
(2)InChI: InChI=1S/C15H22N2O3/c1-4-9-16(10-5-2)15(18)11-13-7-6-8-14(12(13)3)17(19)20/h6-8H,4-5,9-11H2,1-3H3
(3)InChIKey: MNRNUPMXKFVATQ-UHFFFAOYSA-N