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Home > Pyridines > 1291486-41-3
1291486-41-3 | 1-(1-adamantyl)-3,5-dimethyl-1,2,3,6-tetrahydropyridine hydrochloride
CAS No: 1291486-41-3 Catalog No: AG00JD7D MDL No:
Product Description
Catalog Number:
AG00JD7D
Chemical Name:
1-(1-adamantyl)-3,5-dimethyl-1,2,3,6-tetrahydropyridine hydrochloride
CAS Number:
1291486-41-3
Molecular Formula:
C17H27N
Molecular Weight:
245.4030
IUPAC Name:
1-(1-adamantyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C17H27N/c1-12-3-13(2)11-18(10-12)17-7-14-4-15(8-17)6-16(5-14)9-17/h3,12,14-16H,4-11H2,1-2H3
InChI Key:
DCNOQQYZSSDGSB-UHFFFAOYSA-N
SMILES:
CC1C=C(C)CN(C1)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.214g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.41g/mol
Monoisotopic Mass:
245.214g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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