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Home > Pyridines > 865074-81-3
865074-81-3 | 4-[(4-tert-Butylcyclohexyl)methyl]pyridine
CAS No: 865074-81-3 Catalog No: AG01EXXU MDL No:
Product Description
Catalog Number:
AG01EXXU
Chemical Name:
4-[(4-tert-Butylcyclohexyl)methyl]pyridine
CAS Number:
865074-81-3
Molecular Formula:
C16H25N
Molecular Weight:
231.3764
IUPAC Name:
4-[(4-tert-butylcyclohexyl)methyl]pyridine
InChI:
InChI=1S/C16H25N/c1-16(2,3)15-6-4-13(5-7-15)12-14-8-10-17-11-9-14/h8-11,13,15H,4-7,12H2,1-3H3
InChI Key:
VZCDLDGIWFGGGW-UHFFFAOYSA-N
SMILES:
CC(C1CCC(CC1)Cc1ccncc1)(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.383g/mol
Monoisotopic Mass:
231.199g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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