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

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

CAS No.:
2060041-30-5
Catalog Number:
AG01C0E8
Molecular Formula:
C9H18Cl2N4O
Molecular Weight:
269.1714
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Product Description
Catalog Number:
AG01C0E8
Chemical Name:
3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-3-ol dihydrochloride
CAS Number:
2060041-30-5
Molecular Formula:
C9H18Cl2N4O
Molecular Weight:
269.1714
MDL Number:
MFCD30497963
IUPAC Name:
3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol;dihydrochloride
InChI:
InChI=1S/C9H16N4O.2ClH/c1-13-7-11-12-8(13)5-9(14)3-2-4-10-6-9;;/h7,10,14H,2-6H2,1H3;2*1H
InChI Key:
XEFNJCHBANEFEE-UHFFFAOYSA-N
SMILES:
Cn1cnnc1CC1(O)CCCNC1.Cl.Cl
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.086g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
269.17g/mol
Monoisotopic Mass:
268.086g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties