6-Quinazolinecarbox...

6-Quinazolinecarboxamide,2-amino-N,N-diethyl-3,4,5,6,7,8-hexahydro-4-oxo- 5437-51-4

6-Quinazolinecarboxamide,2-amino-N,N-diethyl-3,4,5,6,7,8-hexahydro-4-oxo- 5437-51-4

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Keywords

6-Quinazolinecarboxamide,2-amino-N,N-diethyl-3,4,5,6,7,8-hexahydro-4-oxo- 5437-51-4 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:1|Metric Ton|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
6-Quinazolinecarboxamide,2-amino-N,N-diethyl-3,4,5,6,7,8-hexahydro-4-oxo-
【Iupac name】
2-amino-N,N-diethyl-4-oxo-5,6,7,
8-tetrahydro-1H-quinazoline-6-carboxamide
【CAS Registry number】
5437-51-4
【Synonyms】
6-Quinazolinecarboxamide,2-amino-N,N-diethyl-5,6,7,8-tetrahydro-4-hydroxy- (6CI,9CI)
NSC 16132
【Molecular Formula】
C13H20 N4 O2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C13H20N4O2/c1-3-17(4-2)12(19)8-5-6-10-9(7-8)11(18)16-13(14)15-10/h8H,3-7H2,1-2H3,(H3,14,15,16,18)
【Canonical SMILES】
CCN(CC)C(=O)C1CCC2=C(C1)C(=O)N=C(N2)N
【MOL File】
5437-51-4.mol
Chemical and Physical Properties
【Density】
1.35g/cm3
【Boiling Point】
470.1°Cat760mmHg
【Refractive Index】
1.645
【Flash Point】
238.1°C
【Computed Properties】
Molecular Weight:264.3235 [g/mol]
Molecular Formula:C13H20N4O2
XLogP3-AA:-0.4
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:17
Exact Mass:264.158626
MonoIsotopic Mass:264.158626
Topological Polar Surface Area:87.8
Heavy Atom Count:19
Formal Charge:0
Complexity:463
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:3
Feature 3D Ring Count:2
Effective Rotor Count:4.8
Conformer Sampling RMSD:0.6
CID Conformer Count:28

 

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