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Home > Other Heterocycles > 189279-46-7
189279-46-7 | 1-Azabicyclo[2.2.2]octane, 4-dodecyl-, hydrochloride (1:1)
CAS No: 189279-46-7 Catalog No: AG002I66 MDL No:
Product Description
Catalog Number:
AG002I66
Chemical Name:
1-Azabicyclo[2.2.2]octane, 4-dodecyl-, hydrochloride (1:1)
CAS Number:
189279-46-7
Molecular Formula:
C19H38ClN
Molecular Weight:
315.9647
IUPAC Name:
4-dodecyl-1-azabicyclo[2.2.2]octane;hydrochloride
InChI:
InChI=1S/C19H37N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-16-20(17-14-19)18-15-19;/h2-18H2,1H3;1H
InChI Key:
RSSWAMRPKKQZFQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC12CCN(CC1)CC2.Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.269g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.97g/mol
Monoisotopic Mass:
315.269g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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