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Home > Pyridines > 1291486-09-3
1291486-09-3 | 1-(1-adamantyl)-5-methyl-1,2,3,6-tetrahydropyridine hydrochloride
CAS No: 1291486-09-3 Catalog No: AG00JD7A MDL No:
Product Description
Catalog Number:
AG00JD7A
Chemical Name:
1-(1-adamantyl)-5-methyl-1,2,3,6-tetrahydropyridine hydrochloride
CAS Number:
1291486-09-3
Molecular Formula:
C16H25N
Molecular Weight:
231.3764
IUPAC Name:
1-(1-adamantyl)-5-methyl-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C16H25N/c1-12-3-2-4-17(11-12)16-8-13-5-14(9-16)7-15(6-13)10-16/h3,13-15H,2,4-11H2,1H3
InChI Key:
YBFIUUMCEXDWQY-UHFFFAOYSA-N
SMILES:
CC1=CCCN(C1)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
313
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:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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