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Name
N,N-DIETHYL 4-BROMO-3-METHOXYBENZAMIDE 98
- EINECS
- CAS No. 889676-36-2
- Article Data1
- CAS DataBase
- Density 1.313 g/cm3
- Solubility
- Melting Point 68-70°C
- Formula C12H16BrNO2
- Boiling Point 392.3 °C at 760 mmHg
- Molecular Weight 286.169
- Flash Point 191.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms N,N-DIETHYL 4-BROMO-3-METHOXYBENZAMIDE 98;N,N-Diethyl-4-bromo-3-methoxybenzamide 98%
- PSA 29.54000
- LogP 2.93970
Benzamide, 4-bromo-N,N-diethyl-3-methoxy- Specification
The Benzamide, 4-bromo-N,N-diethyl-3-methoxy-, with CAS registry number 889676-36-2, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Carboxes. It has the systematic name of 4-bromo-N,N-diethyl-3-methoxy-benzamide. This chemical should be kept cold. And the chemical formula of this chemical is C12H16BrNO2.
Physical properties of Benzamide, 4-bromo-N,N-diethyl-3-methoxy-: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 29.54 Å2; (9)Index of Refraction: 1.539; (10)Molar Refractivity: 68.26 cm3; (11)Molar Volume: 217.9 cm3; (12)Polarizability: 27.06×10-24cm3; (13)Surface Tension: 39 dyne/cm; (14)Density: 1.313 g/cm3; (15)Flash Point: 191.1 °C; (16)Enthalpy of Vaporization: 64.2 kJ/mol; (17)Boiling Point: 392.3 °C at 760 mmHg; (18)Vapour Pressure: 2.31E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCN(CC)C(=O)c1ccc(c(c1)OC)Br
(2)InChI: InChI=1/C12H16BrNO2/c1-4-14(5-2)12(15)9-6-7-10(13)11(8-9)16-3/h6-8H,4-5H2,1-3H3
(3)InChIKey: NWNLRFDXNWIDEK-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C12H16BrNO2/c1-4-14(5-2)12(15)9-6-7-10(13)11(8-9)16-3/h6-8H,4-5H2,1-3H3
(5)Std. InChIKey: NWNLRFDXNWIDEK-UHFFFAOYSA-N
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