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

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

CAS No.:
311349-58-3
Catalog Number:
AG01AG4S
Molecular Formula:
C6H11ClN4O2
Molecular Weight:
206.6301
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Product Description
Catalog Number:
AG01AG4S
Chemical Name:
ethyl 5-(aminomethyl)-1H-1,2,4-triazole-3-carboxylate hydrochloride
CAS Number:
311349-58-3
Molecular Formula:
C6H11ClN4O2
Molecular Weight:
206.6301
MDL Number:
MFCD27920340
IUPAC Name:
ethyl 5-(aminomethyl)-1H-1,2,4-triazole-3-carboxylate;hydrochloride
InChI:
InChI=1S/C6H10N4O2.ClH/c1-2-12-6(11)5-8-4(3-7)9-10-5;/h2-3,7H2,1H3,(H,8,9,10);1H
InChI Key:
CJTDJMMJYFZMCR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(n1)CN.Cl
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.057g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
206.63g/mol
Monoisotopic Mass:
206.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties