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Home > Pyridines > 223797-25-9
223797-25-9 | 1-(pyridazin-3-yl)-1,4-diazepane
CAS No: 223797-25-9 Catalog No: AG01AB9J MDL No:MFCD16767463
Product Description
Catalog Number:
AG01AB9J
Chemical Name:
1-(pyridazin-3-yl)-1,4-diazepane
CAS Number:
223797-25-9
Molecular Formula:
C9H14N4
Molecular Weight:
178.2343
MDL Number:
MFCD16767463
IUPAC Name:
1-pyridazin-3-yl-1,4-diazepane
InChI:
InChI=1S/C9H14N4/c1-3-9(12-11-5-1)13-7-2-4-10-6-8-13/h1,3,5,10H,2,4,6-8H2
InChI Key:
WUSMFRZBCSILTC-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)c1cccnn1
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.239g/mol
Monoisotopic Mass:
178.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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