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Home > Pyridines > 881039-99-2
881039-99-2 | 1H-Azepine,2-[(5-ethyl-2-pyridinyl)methyl]hexahydro-
CAS No: 881039-99-2 Catalog No: AG004G38 MDL No:
Product Description
Catalog Number:
AG004G38
Chemical Name:
1H-Azepine,2-[(5-ethyl-2-pyridinyl)methyl]hexahydro-
CAS Number:
881039-99-2
Molecular Formula:
C14H22N2
Molecular Weight:
218.3379
IUPAC Name:
2-[(5-ethylpyridin-2-yl)methyl]azepane
InChI:
InChI=1S/C14H22N2/c1-2-12-7-8-14(16-11-12)10-13-6-4-3-5-9-15-13/h7-8,11,13,15H,2-6,9-10H2,1H3
InChI Key:
NPSYYPJVDPIYCK-UHFFFAOYSA-N
SMILES:
CCc1ccc(nc1)CC1CCCCCN1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.344g/mol
Monoisotopic Mass:
218.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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