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Home Carboxys methyl 1-(piperidin-4-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride

methyl 1-(piperidin-4-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride

CAS No.:
1461715-06-9
Catalog Number:
AG01ABKW
Molecular Formula:
C9H15ClN4O2
Molecular Weight:
246.6940
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Product Description
Catalog Number:
AG01ABKW
Chemical Name:
methyl 1-(piperidin-4-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride
CAS Number:
1461715-06-9
Molecular Formula:
C9H15ClN4O2
Molecular Weight:
246.6940
MDL Number:
MFCD25970529
IUPAC Name:
methyl 1-piperidin-4-yltriazole-4-carboxylate;hydrochloride
InChI:
InChI=1S/C9H14N4O2.ClH/c1-15-9(14)8-6-13(12-11-8)7-2-4-10-5-3-7;/h6-7,10H,2-5H2,1H3;1H
InChI Key:
MIKBATFSJMHVKL-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnn(c1)C1CCNCC1.Cl
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.088g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.695g/mol
Monoisotopic Mass:
246.088g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties