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100538-93-0 | 3-Azabicyclo[3.3.1]nonane, 3-(3-methylbutyl)-, hydrobromide (1:1)
CAS No: 100538-93-0 Catalog No: AG0002AC MDL No:
Product Description
Catalog Number:
AG0002AC
Chemical Name:
3-Azabicyclo[3.3.1]nonane, 3-(3-methylbutyl)-, hydrobromide (1:1)
CAS Number:
100538-93-0
Molecular Formula:
C13H26BrN
Molecular Weight:
276.2562
IUPAC Name:
3-(3-methylbutyl)-3-azoniabicyclo[3.2.2]nonane;bromide
InChI:
InChI=1S/C13H25N.BrH/c1-11(2)7-8-14-9-12-3-4-13(10-14)6-5-12;/h11-13H,3-10H2,1-2H3;1H
InChI Key:
KVDMIPLJPJRZCO-UHFFFAOYSA-N
SMILES:
CC(CCN1CC2CCCC(C1)C2)C.Br
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.125g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.262g/mol
Monoisotopic Mass:
275.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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