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

CAS	6674-22-2
Structure
Description	1,8-Diazabicyclo[5.4.0]undec-7-ene is a marine derived natural products found in Niphates digitalis.
Synonyms	DBU
IUPAC Name	2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine
Molecular Weight	152.24
Canonical SMILES	C1CCC2=NCCCN2CC1
InChI	InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
InChI Key	GQHTUMJGOHRCHB-UHFFFAOYSA-N
Boiling Point	80-83 °C (lit.)
Melting Point	-70 °C
Flash Point	>230 °F
Purity	95%+
Density	1.019 g/mL at 20 °C (lit.)
Complexity	163
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	152.131348519
Heavy Atom Count	11
Monoisotopic Mass	152.131348519
Physical State	Powder
Refractive Index	n20/D 1.523
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	15.6 Ų