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Home > Other Heterocycles > 6674-22-2
6674-22-2 | 1,8-Diazabicyclo[5.4.0]undec-7-ene
CAS No: 6674-22-2 Catalog No: AG0032NI MDL No:MFCD00006930
Product Description
Catalog Number:
AG0032NI
Chemical Name:
1,8-Diazabicyclo[5.4.0]undec-7-ene
CAS Number:
6674-22-2
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
MDL Number:
MFCD00006930
IUPAC Name:
2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
InChI:
InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
InChI Key:
GQHTUMJGOHRCHB-UHFFFAOYSA-N
SMILES:
C1CCN2C(=NCCC2)CC1
EC Number:
229-713-7
UNII:
H1ILJ6IBUX
NSC Number:
111184
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.241g/mol
Monoisotopic Mass:
152.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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