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29396-22-3 | 1,2,3-Oxadiazolium, 5-amino-3-cyclohexyl-4-methyl-, chloride (1:1)
CAS No: 29396-22-3 Catalog No: AG002Y90 MDL No:
Product Description
Catalog Number:
AG002Y90
Chemical Name:
1,2,3-Oxadiazolium, 5-amino-3-cyclohexyl-4-methyl-, chloride (1:1)
CAS Number:
29396-22-3
Molecular Formula:
C9H18ClN3O
Molecular Weight:
219.7117
IUPAC Name:
3-cyclohexyl-4-methyloxadiazol-3-ium-5-amine;chloride
InChI:
InChI=1S/C9H16N3O.ClH/c1-7-9(10)13-11-12(7)8-5-3-2-4-6-8;/h8H,2-6,10H2,1H3;1H/q+1;/p-1
InChI Key:
QTSFVHLKHHJNON-UHFFFAOYSA-M
SMILES:
CC1=C(N)O[NH2+]N1C1CCCCC1.[Cl-]
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.098g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.697g/mol
Monoisotopic Mass:
217.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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