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279228-81-8

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Basic Information
CAS No.: 279228-81-8
Name: BP 34
Article Data: 2
Molecular Structure:
Molecular Structure of 279228-81-8 (BP 34)
Formula: C11H12F3N3O4
Molecular Weight: 307.229
Synonyms: 4-nitro-3-trifluoromethyl-N-(2-hydroxy-2-methyl-3-amino-propionyl)aniline;
Density: 1.52
Boiling Point: 520.365oC at 760 mmHg
Flash Point: 268.507oC
PSA: 124.66000
LogP: 3.13480
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Chemistry

Molecular Structure of 3-Amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (CAS NO.279228-81-8):

Systematic Name: 3-Amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide 
Molecular Formula: C11H12F3N3O4
Molecular Weight: 307.23
CAS Registry Number: 279228-81-8 
H bond acceptors: 7
H bond donors: 4
Freely Rotating Bonds: 6
Nominal Mass: 307
Average Mass: 307.2259
Monoisotopic Mass: 307.07799
Index of Refraction: 1.57
Molar Refractivity: 66.352 cm3
Molar Volume: 202.113 cm3
Surface Tension: 52.533 dyne/cm
Density: 1.52 g/cm3
Flash Point: 268.507 °C
Enthalpy of Vaporization: 83.519 kJ/mol
Boiling Point: 520.365 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(O)(C)CN
InChI: InChI=1/C11H12F3N3O4/c1-10(19,5-15)9(18)16-6-2-3-8(17(20)21)7(4-6)11(12,13)14/h2-4,19H,5,15H2,1H3,(H,16,18)
InChIKey: YCURCXVNSJYMCB-UHFFFAOYAP

Specification

 3-Amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (CAS NO.279228-81-8), its Synonyms are BP 34 ; Propanamide, 3-amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]- .