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84759-19-3 | 1H-Azepine, hexahydro-1-(4-pyridinyl)-
CAS No: 84759-19-3 Catalog No: AG004OXY MDL No:
Product Description
Catalog Number:
AG004OXY
Chemical Name:
1H-Azepine, hexahydro-1-(4-pyridinyl)-
CAS Number:
84759-19-3
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
IUPAC Name:
1-pyridin-4-ylazepane
InChI:
InChI=1S/C11H16N2/c1-2-4-10-13(9-3-1)11-5-7-12-8-6-11/h5-8H,1-4,9-10H2
InChI Key:
QEJLOHRTWXIVFX-UHFFFAOYSA-N
SMILES:
C1CCCCN(C1)c1ccncc1
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.263g/mol
Monoisotopic Mass:
176.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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