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28721-09-7

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Basic Information
CAS No.: 28721-09-7
Name: 10-Methoxycarbamazepine
Article Data: 14
Molecular Structure:
Molecular Structure of 28721-09-7 (10-Methoxycarbamazepine)
Formula: C16H14N2O2
Molecular Weight: 266.299
Synonyms: 10-Methoxy-5H-dibenz[b,f]azepine-5-carboxamide;
EINECS: 249-189-3
Density: 1.31 g/cm3
Melting Point: 186-188 °C
Boiling Point: 468 °C at 760 mmHg
Flash Point: 236.8 °C
Appearance: Off-white solid
Hazard Symbols: Xn
Risk Codes: 22
PSA: 55.56000
LogP: 4.12660
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Chemistry

Molecular Structure of 10-Methoxycarbamazepine (CAS NO.28721-09-7):

IUPAC Name: 6-methoxybenzo[b][1]benzazepine-11-carboxamide
Empirical Formula: C16H14N2O2
Molecular Weight: 266.2946
H bond acceptors: 4
H bond donors: 2
#Freely Rotating Bonds: 1
Polar Surface Area: 32.78 Å2
Index of Refraction: 1.683
Molar Refractivity: 76.97 cm3
Molar Volume: 202.8 cm3
Surface Tension: 62.4 dyne/cm
Density: 1.31 g/cm3
Flash Point: 236.8 °C
Enthalpy of Vaporization: 73.01 kJ/mol
Boiling Point: 468 °C at 760 mmHg
Vapour Pressure: 6.21E-09 mmHg at 25°C
EINECS: 249-189-3
InChI
InChI=1/C16H14N2O2/c1-20-15-10-11-6-2-4-8-13(11)18(16(17)19)14-9-5-3-7-12(14)15/h2-10H,1H3,(H2,17,19)
Smiles
N1(c2c(C(OC)=Cc3c1cccc3)cccc2)C(=O)N

Specification

  10-Methoxycarbamazepine , with CAS number of 28721-09-7, can be called 10-methoxy-5h-dibenz(b,f)azepine-5-carboxamide ; 10-methoxy carbamazepine ; 10-methoxy-5h-dibenz[b,f]azepine-5-carboxamide 98.5% .