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Name |
Benzeneacetamide,3-bromo-N-(1,1-dimethylethyl)- |
EINECS | N/A |
CAS No. | 883801-90-9 | Density | 1.283g/cm3 |
PSA | 29.10000 | LogP | 3.29720 |
Solubility | N/A | Melting Point |
104-107°C |
Formula | C12H16BrNO | Boiling Point | 403.7 °C at 760 mmHg |
Molecular Weight | 270.16554 | Flash Point | 198 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(3-BROMOPHENYL)-N-T-BUTYLACETAMIDE;2-(3-Bromophenyl)-N-tert-butylacetamide;2-(3-Bromophenyl)-N-tert-butylacetamide 98% |
The Benzeneacetamide,3-bromo-N-(1,1-dimethylethyl)-, with CAS registry number 883801-90-9, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Carboxes. It has the systematic name of 2-(3-bromophenyl)-N-tert-butylacetamide. This chemical should be kept cold. And the chemical formula of this chemical is C12H16BrNO.
Physical properties of Benzeneacetamide,3-bromo-N-(1,1-dimethylethyl)-: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.07; (6)ACD/BCF (pH 7.4): 50.07; (7)ACD/KOC (pH 5.5): 573.02; (8)ACD/KOC (pH 7.4): 573.03; (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: 1.535; (14)Molar Refractivity: 65.61 cm3; (15)Molar Volume: 210.4 cm3; (16)Polarizability: 26.01×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.283 g/cm3; (19)Flash Point: 198 °C; (20)Enthalpy of Vaporization: 65.5 kJ/mol; (21)Boiling Point: 403.7 °C at 760 mmHg; (22)Vapour Pressure: 9.98E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1)CC(=O)NC(C)(C)C
(2)InChI: InChI=1/C12H16BrNO/c1-12(2,3)14-11(15)8-9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3,(H,14,15)
(3)InChIKey: SAYMAMMCRGZMPA-UHFFFAOYAY