Home Carboxys 1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid dihydrochloride

1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid dihydrochloride

CAS No.:
2059954-37-7
Catalog Number:
AG01C0EH
Molecular Formula:
C13H22Cl2N4O2
Molecular Weight:
337.2454
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Product Description
Catalog Number:
AG01C0EH
Chemical Name:
1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid dihydrochloride
CAS Number:
2059954-37-7
Molecular Formula:
C13H22Cl2N4O2
Molecular Weight:
337.2454
MDL Number:
MFCD30497967
IUPAC Name:
3-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydrobenzotriazole-5-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C13H20N4O2.2ClH/c1-16-6-4-10(5-7-16)17-12-8-9(13(18)19)2-3-11(12)14-15-17;;/h9-10H,2-8H2,1H3,(H,18,19);2*1H
InChI Key:
YLSLBFVWXOOTFM-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)n1nnc2c1CC(CC2)C(=O)O.Cl.Cl
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.112g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
337.245g/mol
Monoisotopic Mass:
336.112g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties