1,8-Diazabicyclo(5.4.0)undec-7-ene
An organic compound, C9H16N2, 152.241 g/mol. Density 1.018 @25 °C, as published. Appears in 258 documented reactions across 8 classes.
Identifiers
- Molecular formula
- C₉H₁₆N₂
- Molecular weight
- 152.241 g/mol
- Exact mass
- 152.131349 g/mol
- IUPAC name
- 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
- C1CCC2=NCCCN2CC1
- InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
- GQHTUMJGOHRCHB-UHFFFAOYSA-N
Measured properties
- Density
- 1.018 @25 °C
- Vapor Pressure
- 0.05 [mmHg]
- 5.3 [mm Hg] @37.700000000000003 °C
- LogP
- 1.38
Calculated properties
- Molecular weight
- 152.24 g/mol
- Exact mass
- 152.131348519 Da
- XLogP3
- 1.4
- Polar surface area
- 15.6 Ų
- Complexity
- 163
- H-bond donors
- 0
- H-bond acceptors
- 1
- logP
- 1.6646
- Topological polar surface area
- 15.6 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Rotatable bonds
- 0
- Molar refractivity
- 46.96 cm³/mol
- Fraction sp³ carbons
- 0.8889
- QED drug-likeness
- 0.5152
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 11
- Total atoms, hydrogen included
- 27
- Rings
- 2
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
258 documented reactions involve 1,8-Diazabicyclo(5.4.0)undec-7-ene, each with a written procedure and a source across 8 classes. A few from each are shown.
Suzuki–Miyaura coupling
Suzuki–Miyaura coupling · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig phosphination
Buchwald–Hartwig phosphination · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig etherification
Buchwald–Hartwig etherification · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Sonogashira coupling
Sonogashira coupling · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Palladium-catalysed enolate arylation
Palladium-catalysed enolate arylation · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Mizoroki–Heck reaction
Mizoroki–Heck reaction · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig thioetherification
Buchwald–Hartwig thioetherification · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Suzuki–Miyaura coupling
Suzuki–Miyaura coupling · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
All 5 suzuki–miyaura coupling recordsAll 5 buchwald–hartwig amination recordsAll 5 buchwald–hartwig phosphination recordsAll 5 buchwald–hartwig etherification recordsAll 5 sonogashira coupling recordsAll 5 palladium-catalysed enolate arylation recordsAll 5 mizoroki–heck reaction recordsAll 5 buchwald–hartwig thioetherification records
Other names for it
The systematic name on this record is 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.
The sources also call it 1,8-Diazabicyclo[5.4.0]undec-7-ene, Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-, H1ILJ6IBUX, AMICURE DBUE, DABCO DBU, ALCANPOUDRE DBU 70-3KG, 1,8-DIAZA-7-BICYCLO(5.4.0)UNDECENE.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as 1,8-Diazabicyclo(5.4.0)undec-7-ene. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1,1'-Carbonyldiimidazole
used as a reactant
C₇H₆N₄O, 162.152 g/mol.
1,1'-Bis[bis(1,1-dimethylethyl)phosphino]ferrocene
C₂₆H₄₄FeP₂, 474.431 g/mol.
(1S,2S)-(-)-1,2-DIAMINOCYCLOHEXANE-N,N'-BIS(2-DIPHENYLPHOSPHINO-1-NAPHTHOYL)
C₅₂H₄₄N₂O₂P₂, 790.884 g/mol.
1,2-Dichloroethane
C₂H₄Cl₂, 98.96 g/mol.
(1R,2R)-(+)-N,N'-DIMETHYL-1,2-DIPHENYL-1,2-ETHANE DIAMINE
C₁₆H₂₀N₂, 240.35 g/mol.
1,2-BIS(DICYCLOHEXYLPHOSPHINO)ETHANE
C₂₆H₄₈P₂, 422.618 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under 0–9
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C9H16N2 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of 1,8-Diazabicyclo(5.4.0)undec-7-ene for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.