chempirical

1,8-Diazabicyclo(5.4.0)undec-7-ene

C9H16N2CAS 6674-22-2152.24 g/mol

Open in Covalent MOL file
NN
Amidine

Properties

Molecular formula
C9H16N2
Molar mass
152.24 g/mol
Exact mass
152.1313 Da
Density
1.0378 g/mL (at 20 °C)
Boiling point
97–98 °C (at 3 Torr)
logP
1.66Crippen estimate
Polar surface area
15.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
6674-22-2
SMILES
C1CCC2=NCCCN2CC1
InChIKey
GQHTUMJGOHRCHB-UHFFFAOYSA-N
InChI
InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

21 names · show all
  • Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-
  • 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine
  • 1,8-Diazabicyclo[5.4.0]undec-7-ene
  • 1,8-Diaza-7-bicyclo[5.4.0]undecene
  • DBU
  • Polycat DBU
  • 1,8-Diazabicyclo[5.4.0]undecene-7
  • U-CAT SA 851
  • NSC 111184
  • NSC 230466
  • Dabco DBU
  • Amicure DBUE
  • Alcanpoudre DBU 70-3KG
  • 1,8-Diazabicyclo[5.4.0]undeca-7-ene
  • Lupragen N 700
  • PC CAT DBU
  • 1,8-Diazabicycloundec-7-ene
  • San-apro
  • Diazabicyclo[5.4.0]undec-7-ene
  • Active D 10
  • 2H,3H,4H,6H,7H,8H,9H,10H-Pyrimido[1,2-a]azepine

Work with 1,8-Diazabicyclo(5.4.0)undec-7-ene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,5-Diazabicyclo(4.3.0)non-5-ene3001-72-782 % similar 2-(8-Heptadecen-1-yl)-4,5-dihydro-1H-imidazole-1-ethanol95-38-541 % similar 7-Methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene84030-20-638 % similar 1-(1-Cyclohexen-1-yl)piperidine2981-10-435 % similar 1-(1-Cyclohexen-1-yl)pyrrolidine1125-99-132 % similar 1-Aza-2-methoxy-1-cycloheptene2525-16-831 % similar 1,4,5,6-Tetrahydro-1,2-dimethylpyrimidine4271-96-931 % similar 2-Piperidinone675-20-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Cyclohexylamino)propanenitrile702-03-4

Elsewhere

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