Home Other Building Blocks 3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]piperidine dihydrochloride

3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]piperidine dihydrochloride

CAS No.:
1303889-70-4
Catalog Number:
AG01AGK2
Molecular Formula:
C10H20Cl2N4
Molecular Weight:
267.1986
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Product Description
Catalog Number:
AG01AGK2
Chemical Name:
3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]piperidine dihydrochloride
CAS Number:
1303889-70-4
Molecular Formula:
C10H20Cl2N4
Molecular Weight:
267.1986
MDL Number:
MFCD18089452
IUPAC Name:
3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
InChI:
InChI=1S/C10H18N4.2ClH/c1-8(2)14-7-12-13-10(14)9-4-3-5-11-6-9;;/h7-9,11H,3-6H2,1-2H3;2*1H
InChI Key:
NTPMHFIGSUQPPQ-UHFFFAOYSA-N
SMILES:
CC(n1cnnc1C1CCCNC1)C.Cl.Cl
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.107g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
267.198g/mol
Monoisotopic Mass:
266.107g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties