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7621-96-7 | 1-[2-(pyridin-2-yl)ethyl]azocane
CAS No: 7621-96-7 Catalog No: AG005EVH MDL No:
Product Description
Catalog Number:
AG005EVH
Chemical Name:
1-[2-(pyridin-2-yl)ethyl]azocane
CAS Number:
7621-96-7
Molecular Formula:
C14H22N2
Molecular Weight:
218.3379
IUPAC Name:
1-(2-pyridin-2-ylethyl)azocane
InChI:
InChI=1S/C14H22N2/c1-2-6-11-16(12-7-3-1)13-9-14-8-4-5-10-15-14/h4-5,8,10H,1-3,6-7,9,11-13H2
InChI Key:
BDEHWPNZFREBFL-UHFFFAOYSA-N
SMILES:
C1CCCCN(CC1)CCc1ccccn1
NSC Number:
19002
Properties
Complexity:
174
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:
0
Isotope Atom Count:
0
Molecular Weight:
218.344g/mol
Monoisotopic Mass:
218.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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