Home Carboxys ethyl 3-[1-(methylamino)ethyl]-1H-1,2,4-triazole-5-carboxylate hydrochloride

ethyl 3-[1-(methylamino)ethyl]-1H-1,2,4-triazole-5-carboxylate hydrochloride

CAS No.:
1955505-90-4
Catalog Number:
AG01B2QY
Molecular Formula:
C8H15ClN4O2
Molecular Weight:
234.6833
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Product Description
Catalog Number:
AG01B2QY
Chemical Name:
ethyl 3-[1-(methylamino)ethyl]-1H-1,2,4-triazole-5-carboxylate hydrochloride
CAS Number:
1955505-90-4
Molecular Formula:
C8H15ClN4O2
Molecular Weight:
234.6833
MDL Number:
MFCD29991704
IUPAC Name:
ethyl 5-[1-(methylamino)ethyl]-1H-1,2,4-triazole-3-carboxylate;hydrochloride
InChI:
InChI=1S/C8H14N4O2.ClH/c1-4-14-8(13)7-10-6(11-12-7)5(2)9-3;/h5,9H,4H2,1-3H3,(H,10,11,12);1H
InChI Key:
QXBPPJMLNIPNBV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]nc(n1)C(NC)C.Cl
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.088g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
234.684g/mol
Monoisotopic Mass:
234.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties