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136312-82-8 | 8-Aza-5-azoniaspiro[4.5]decane, 8-phenyl-, bromide (1:1)
CAS No: 136312-82-8 Catalog No: AG0011M6 MDL No:
Product Description
Catalog Number:
AG0011M6
Chemical Name:
8-Aza-5-azoniaspiro[4.5]decane, 8-phenyl-, bromide (1:1)
CAS Number:
136312-82-8
Molecular Formula:
C14H21BrN2
Molecular Weight:
297.2339
IUPAC Name:
8-phenyl-8-aza-5-azoniaspiro[4.5]decane;bromide
InChI:
InChI=1S/C14H21N2.BrH/c1-2-6-14(7-3-1)15-8-12-16(13-9-15)10-4-5-11-16;/h1-3,6-7H,4-5,8-13H2;1H/q+1;/p-1
InChI Key:
JMKRDFYHIXSSGB-UHFFFAOYSA-M
SMILES:
C1CC[N+]2(C1)CCN(CC2)c1ccccc1.[Br-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.24g/mol
Monoisotopic Mass:
296.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Unique spirocyclopiperazinium salt III: further investigation of monospirocyclopiperazinium (MSPZ) salts as potential analgesics. | Bioorganic & medicinal chemistry letters 20071115 |
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