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1235440-58-0 | Piperidine, 4-(5-phenyl-1H-1,2,4-triazol-3-yl)-, hydrochloride (1:1)
CAS No: 1235440-58-0 Catalog No: AG000KS6 MDL No:MFCD16039356
Product Description
Catalog Number:
AG000KS6
Chemical Name:
Piperidine, 4-(5-phenyl-1H-1,2,4-triazol-3-yl)-, hydrochloride (1:1)
CAS Number:
1235440-58-0
Molecular Formula:
C13H17ClN4
Molecular Weight:
264.7539
MDL Number:
MFCD16039356
IUPAC Name:
4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
InChI:
InChI=1S/C13H16N4.ClH/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11;/h1-5,11,14H,6-9H2,(H,15,16,17);1H
InChI Key:
XEWVGXTWOSQZES-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1n[nH]c(n1)c1ccccc1.Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.757g/mol
Monoisotopic Mass:
264.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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