4-(tricyclo[3.3.1.1...

4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one 54012-91-8

4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one 54012-91-8

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

5-(1-adamantyl)-2,6-diazabicyclo[5.4.0]undeca-4,7,9,11-tetraen-3-one 4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one 54012-91-8

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one
【Iupac name】
4-(1-adamantyl)-1,5-dihydro-1,5-benzodiazepin-2-one
【CAS Registry number】
54012-91-8
【Synonyms】
NSC204860
54012-91-8
4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one
AC1L8IMN
NSC 204860
NSC-204860
4-(1-adamantyl)-1,5-dihydro-1,5-benzodiazepin-2-one
【Molecular Formula】
C19H22N2O (Products with the same molecular formula)
【Molecular Weight】
294.3908
【Inchi】
InChI=1/C19H22N2O/c22-18-8-17(20-15-3-1-2-4-16(15)21-18)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2,(H,21,22)
【Canonical SMILES】
C1C2CC3CC1CC(C2)(C3)C4=CC(=O)NC5=CC=CC=C5N4
Chemical and Physical Properties
【Density】
1.217g/cm3
【Boiling Point】
479.1°C at 760 mmHg
【Refractive Index】
1.621
【Flash Point】
175.1°C
【Computed Properties】
Molecular Weight:294.39078 [g/mol]
Molecular Formula:C19H22N2O
XLogP3-AA:3.8
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:5
Exact Mass:294.173213
MonoIsotopic Mass:294.173213
Topological Polar Surface Area:41.1
Heavy Atom Count:22
Formal Charge:0
Complexity:482
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:6
Effective Rotor Count:2.6
Conformer Sampling RMSD:0.6
CID Conformer Count:2

 

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