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Home > Pyridines > 199938-61-9
199938-61-9 | 1-(pyridine-4-carbonyl)-1,4-diazepane
CAS No: 199938-61-9 Catalog No: AG00JVG9 MDL No:MFCD09047178
Product Description
Catalog Number:
AG00JVG9
Chemical Name:
1-(pyridine-4-carbonyl)-1,4-diazepane
CAS Number:
199938-61-9
Molecular Formula:
C11H15N3O
Molecular Weight:
205.2563
MDL Number:
MFCD09047178
IUPAC Name:
1,4-diazepan-1-yl(pyridin-4-yl)methanone
InChI:
InChI=1S/C11H15N3O/c15-11(10-2-5-13-6-3-10)14-8-1-4-12-7-9-14/h2-3,5-6,12H,1,4,7-9H2
InChI Key:
IWECACRPYUGBDO-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)N1CCNCCC1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.261g/mol
Monoisotopic Mass:
205.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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