Home Other Building Blocks 3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine dihydrochloride

3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine dihydrochloride

CAS No.:
1461713-40-5
Catalog Number:
AG01A6RT
Molecular Formula:
C13H18Cl2N4
Molecular Weight:
301.2148
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A6RT
Chemical Name:
3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine dihydrochloride
CAS Number:
1461713-40-5
Molecular Formula:
C13H18Cl2N4
Molecular Weight:
301.2148
MDL Number:
MFCD25970413
IUPAC Name:
3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride
InChI:
InChI=1S/C13H16N4.2ClH/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11;;/h1-3,5-6,11,14H,4,7-9H2,(H,15,16,17);2*1H
InChI Key:
RNOHROWMUYNBHT-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)c1[nH]nc(n1)c1ccccc1.Cl.Cl
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.091g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
301.215g/mol
Monoisotopic Mass:
300.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties