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Home > Other Heterocycles > 1706461-27-9
1706461-27-9 | (1R,5R)-9-azabicyclo[3.3.1]nona-2,6-diene;hydrochloride
CAS No: 1706461-27-9 Catalog No: AG01DEH2 MDL No:MFCD26403984
Product Description
Catalog Number:
AG01DEH2
Chemical Name:
(1R,5R)-9-azabicyclo[3.3.1]nona-2,6-diene;hydrochloride
CAS Number:
1706461-27-9
Molecular Formula:
C8H12ClN
Molecular Weight:
157.6406
MDL Number:
MFCD26403984
IUPAC Name:
9-azabicyclo[3.3.1]nona-2,6-diene;hydrochloride
InChI:
InChI=1S/C8H11N.ClH/c1-3-7-5-2-6-8(4-1)9-7;/h1-3,6-9H,4-5H2;1H
InChI Key:
YUMUZUGVHYEVMJ-UHFFFAOYSA-N
SMILES:
C1=C[C@@H]2N[C@H](C1)C=CC2.Cl
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.066g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.641g/mol
Monoisotopic Mass:
157.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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