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137500-42-6 | 1,2,3-Oxadiazolium, 5-amino-3-[(2R,6S)-2,6-dimethyl-1-piperidinyl]-, inner salt, rel-
CAS No: 137500-42-6 Catalog No: AG0013EI MDL No:
Product Description
Catalog Number:
AG0013EI
Chemical Name:
1,2,3-Oxadiazolium, 5-amino-3-[(2R,6S)-2,6-dimethyl-1-piperidinyl]-, inner salt, rel-
CAS Number:
137500-42-6
Molecular Formula:
C9H16N4O
Molecular Weight:
196.2495
IUPAC Name:
[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-4H-oxadiazol-3-ium-5-ylidene]azanide
InChI:
InChI=1S/C9H16N4O/c1-7-4-3-5-8(2)13(7)12-6-9(10)14-11-12/h7-8H,3-6H2,1-2H3/t7-,8+
InChI Key:
MLFRXXQBXBQMKQ-OCAPTIKFSA-N
SMILES:
C[C@@H]1CCC[C@@H](N1[N+]1=NOC(=[N-])C1)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
196.132g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.254g/mol
Monoisotopic Mass:
196.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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