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Home > Pyridines > 1779683-11-2
1779683-11-2 | 3-(pyridin-3-yl)-1,4-diazepan-2-one
CAS No: 1779683-11-2 Catalog No: AG01C92K MDL No:MFCD31447148
Product Description
Catalog Number:
AG01C92K
Chemical Name:
3-(pyridin-3-yl)-1,4-diazepan-2-one
CAS Number:
1779683-11-2
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
MDL Number:
MFCD31447148
IUPAC Name:
3-pyridin-3-yl-1,4-diazepan-2-one
InChI:
InChI=1S/C10H13N3O/c14-10-9(12-5-2-6-13-10)8-3-1-4-11-7-8/h1,3-4,7,9,12H,2,5-6H2,(H,13,14)
InChI Key:
RYLCABNELLNYKL-UHFFFAOYSA-N
SMILES:
O=C1NCCCNC1c1cccnc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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