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519032-08-7

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Basic Information
CAS No.: 519032-08-7
Name: 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER
Article Data: 3
Molecular Structure:
Molecular Structure of 519032-08-7 (4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER)
Formula: C17H19N3O6
Molecular Weight: 361.354
Synonyms: methyl2-[1-[[(benzyloxy)carbonyl]amino]-1-methylethyl]-5,6-dihydroxypyrimidine-4-carboxylate;1,6-Dihydro-5-hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester;
EINECS: 917-658-8
Density: 1.354 g/cm3
Melting Point: 186.3-187.0 °C
Boiling Point: 552.6 °C at 760 mmHg
Flash Point: 288 °C
Appearance: Brown solid
PSA: 130.61000
LogP: 1.81450
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Chemistry

Product Name: 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-,methyl ester (CAS NO.519032-08-7)

Molecular Formula: C17H19N3O6
Molecular Weight: 361.3493g/mol
Mol File: 519032-08-7.mol
Boiling point: 552.6 °C at 760 mmHg
Flash Point: 288 °C
Density: 1.354 g/cm3
Surface Tension: 60.1 dyne/cm
Enthalpy of Vaporization: 86.43 kJ/mol
Vapour Pressure: 8.09E-13 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 3
H-Bond Acceptor: 7
Structure Descriptors of 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-,methyl ester (CAS NO.519032-08-7):
  IUPAC Name: benzylN-[2-[(6Z)-6-[hydroxy(methoxy)methylidene]-4,5-dioxo-1H-pyrimidin-2-yl]propan-2-yl]carbamate
  Canonical SMILES: CC(C)(C1=NC(=O)C(=O)C(=C(O)OC)N1)NC(=O)OCC2=CC=CC=C2
  Isomeric SMILES: CC(C)(C1=NC(=O)C(=O)/C(=C(\O)/OC)/N1)NC(=O)OCC2=CC=CC=C2
  InChI: InChI=1S/C17H19N3O6/c1-17(2,20-16(24)26-9-10-7-5-4-6-8-10)15-18-11(14(23)25-3)12(21)13(22)19-15/h4-8,23H,9H2,1-3H3,(H,20,24)(H,18,19,22)/b14-11- 
  InChIKey: CEMCMEPLRHLICZ-KAMYIIQDSA-N 

Specification

 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-,methyl ester , its CAS NO. is 519032-08-7, the synonyms are Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate ; 1,6-Dihydro-5-hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester  .