1,8-Diazabicyclo[5.4.0]undec-7-ene

C₉H₁₆N₂CAS 6674-22-2152.24 g/mol

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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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H290 May be corrosive to metals18.3% of notifiers
H301 Toxic if swallowed71.5% of notifiers
H302 Harmful if swallowed22.2% of notifiers
H312 Harmful in contact with skin17.5% of notifiers
H314 Causes severe skin burns and eye damage93.7% of notifiers
H318 Causes serious eye damage73.5% of notifiers
H412 Harmful to aquatic life with long lasting effects42% of notifiers

Aggregated from 776 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P390, P405, P406, P501

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

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Names and synonyms

21 names · show all

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

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 6674-22-2. Each row opens the sheet with its composition and PDF.

1,8-Diazabicyclo[5.4.0]undec-7-ene > 95 %Avocado Research Chemicals Ltd. · 2024-03-07

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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 Triazabicyclodecene5807-14-739 % 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 Caprolactam105-60-234 % similar Enantholactam673-66-534 % similar Octahydro-2H-azonin-2-one935-30-834 % 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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