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

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

CAS No.:
2126176-91-6
Catalog Number:
AG01EHTP
Molecular Formula:
C9H18Cl2N4
Molecular Weight:
253.1720
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Product Description
Catalog Number:
AG01EHTP
Chemical Name:
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine dihydrochloride
CAS Number:
2126176-91-6
Molecular Formula:
C9H18Cl2N4
Molecular Weight:
253.1720
MDL Number:
MFCD28895658
IUPAC Name:
4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine;dihydrochloride
InChI:
InChI=1S/C9H16N4.2ClH/c1-13-7-11-12-9(13)6-8-2-4-10-5-3-8;;/h7-8,10H,2-6H2,1H3;2*1H
InChI Key:
LITPVRJEYNHAKQ-UHFFFAOYSA-N
SMILES:
Cn1cnnc1CC1CCNCC1.Cl.Cl
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.091g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
253.171g/mol
Monoisotopic Mass:
252.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties