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Home > Pyridines > 1547037-93-3
1547037-93-3 | 4-(pyridin-4-yl)azepane
CAS No: 1547037-93-3 Catalog No: AG01BIGG MDL No:MFCD29047087
Product Description
Catalog Number:
AG01BIGG
Chemical Name:
4-(pyridin-4-yl)azepane
CAS Number:
1547037-93-3
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
MDL Number:
MFCD29047087
IUPAC Name:
4-pyridin-4-ylazepane
InChI:
InChI=1S/C11H16N2/c1-2-10(3-7-12-6-1)11-4-8-13-9-5-11/h4-5,8-10,12H,1-3,6-7H2
InChI Key:
KECVVBOWVKCCFM-UHFFFAOYSA-N
SMILES:
N1CCCC(CC1)c1ccncc1
Properties
Complexity:
141
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:
1
Isotope Atom Count:
0
Molecular Weight:
176.263g/mol
Monoisotopic Mass:
176.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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