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Home > Pyridines > 926270-61-3
926270-61-3 | 1-(pyridine-3-carbonyl)-1,4-diazepane
CAS No: 926270-61-3 Catalog No: AG00JVGA MDL No:
Product Description
Catalog Number:
AG00JVGA
Chemical Name:
1-(pyridine-3-carbonyl)-1,4-diazepane
CAS Number:
926270-61-3
Molecular Formula:
C11H15N3O
Molecular Weight:
205.2563
IUPAC Name:
1,4-diazepan-1-yl(pyridin-3-yl)methanone
InChI:
InChI=1S/C11H15N3O/c15-11(10-3-1-4-13-9-10)14-7-2-5-12-6-8-14/h1,3-4,9,12H,2,5-8H2
InChI Key:
JDDXUZXAUSXXCY-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)N1CCNCCC1
Properties
Complexity:
220
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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