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

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

CAS No.:
1788595-64-1
Catalog Number:
AG01BEP8
Molecular Formula:
C12H15ClN4O2
Molecular Weight:
282.7261
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Product Description
Catalog Number:
AG01BEP8
Chemical Name:
ethyl 3-[3-(aminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxylate hydrochloride
CAS Number:
1788595-64-1
Molecular Formula:
C12H15ClN4O2
Molecular Weight:
282.7261
MDL Number:
MFCD28118388
IUPAC Name:
ethyl 3-[3-(aminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxylate;hydrochloride
InChI:
InChI=1S/C12H14N4O2.ClH/c1-2-18-12(17)11-14-10(15-16-11)9-5-3-4-8(6-9)7-13;/h3-6H,2,7,13H2,1H3,(H,14,15,16);1H
InChI Key:
WKCQTQUZFAGARD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]nc(n1)c1cccc(c1)CN.Cl
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.088g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
282.728g/mol
Monoisotopic Mass:
282.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties