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1219170-51-0

Name N-Carbamoyl Carbamazepine
CAS 1219170-51-0
Molecular Formula C16H13N3O2
MDL Number MFCD27966958
Molecular Weight 279.29
MOL File 1219170-51-0.mol

Chemical Properties

Melting point  169-171°C
density  1.336±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 9.16±0.20(Predicted)
color  Off-White to Pale Yellow
InChI InChI=1S/C16H13N3O2/c17-15(20)18-16(21)19-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)19/h1-10H,(H3,17,18,20,21)
InChIKey CGYQIRGCBFIMCX-UHFFFAOYSA-N
SMILES N1(C(NC(N)=O)=O)C2=CC=CC=C2C=CC2=CC=CC=C12

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