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Home > Other Heterocycles > 127723-04-0
127723-04-0 | 3,9-Diaza-6-azoniaspiro[5.5]undecane, chloride (1:1)
CAS No: 127723-04-0 Catalog No: AG000XC7 MDL No:
Product Description
Catalog Number:
AG000XC7
Chemical Name:
3,9-Diaza-6-azoniaspiro[5.5]undecane, chloride (1:1)
CAS Number:
127723-04-0
Molecular Formula:
C8H18ClN3
Molecular Weight:
191.7016
IUPAC Name:
3,9-diaza-6-azoniaspiro[5.5]undecane;chloride
InChI:
InChI=1S/C8H18N3.ClH/c1-5-11(6-2-9-1)7-3-10-4-8-11;/h9-10H,1-8H2;1H/q+1;/p-1
InChI Key:
KRCIIWXIEBAPFF-UHFFFAOYSA-M
SMILES:
N1CC[N+]2(CC1)CCNCC2.[Cl-]
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.119g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.703g/mol
Monoisotopic Mass:
191.119g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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