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1351659-05-6 | 4-(1H-1,2,4-Triazol-1-ylmethyl)piperidine dihydrochloride
CAS No: 1351659-05-6 Catalog No: AG01FMOL MDL No:MFCD22587709
Product Description
Catalog Number:
AG01FMOL
Chemical Name:
4-(1H-1,2,4-Triazol-1-ylmethyl)piperidine dihydrochloride
CAS Number:
1351659-05-6
Molecular Formula:
C8H16Cl2N4
Molecular Weight:
239.1454
MDL Number:
MFCD22587709
IUPAC Name:
4-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride
InChI:
InChI=1S/C8H14N4.2ClH/c1-3-9-4-2-8(1)5-12-7-10-6-11-12;;/h6-9H,1-5H2;2*1H
InChI Key:
MIXWNIBAWUMXDO-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Cn1ncnc1.Cl.Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.144g/mol
Monoisotopic Mass:
238.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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