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24796-54-1 | 1,2,3-Oxadiazolium, 5-amino-3-[4-(phenylmethyl)-1-piperazinyl]-, chloride, hydrochloride (1:1:1)
CAS No: 24796-54-1 Catalog No: AG002PGU MDL No:
Product Description
Catalog Number:
AG002PGU
Chemical Name:
1,2,3-Oxadiazolium, 5-amino-3-[4-(phenylmethyl)-1-piperazinyl]-, chloride, hydrochloride (1:1:1)
CAS Number:
24796-54-1
Molecular Formula:
C13H21Cl2N5O
Molecular Weight:
334.2447
IUPAC Name:
3-(4-benzylpiperazin-1-yl)oxadiazol-3-ium-4-amine;chloride;hydrochloride
InChI:
InChI=1S/C13H18N5O.2ClH/c14-13-11-19-15-18(13)17-8-6-16(7-9-17)10-12-4-2-1-3-5-12;;/h1-5,11H,6-10,14H2;2*1H/q+1;;/p-1
InChI Key:
HVBBQCCBTRSUMZ-UHFFFAOYSA-M
SMILES:
NC1=CN([NH2+]O1)N1CCN(CC1)Cc1ccccc1.Cl.[Cl-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.097g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.229g/mol
Monoisotopic Mass:
331.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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