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

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

CAS No.:
1955516-08-1
Catalog Number:
AG01B53T
Molecular Formula:
C7H13ClN4O2
Molecular Weight:
220.6567
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Product Description
Catalog Number:
AG01B53T
Chemical Name:
ethyl 3-(1-aminoethyl)-1H-1,2,4-triazole-5-carboxylate hydrochloride
CAS Number:
1955516-08-1
Molecular Formula:
C7H13ClN4O2
Molecular Weight:
220.6567
MDL Number:
MFCD29991909
IUPAC Name:
ethyl 5-(1-aminoethyl)-1H-1,2,4-triazole-3-carboxylate;hydrochloride
InChI:
InChI=1S/C7H12N4O2.ClH/c1-3-13-7(12)6-9-5(4(2)8)10-11-6;/h4H,3,8H2,1-2H3,(H,9,10,11);1H
InChI Key:
MGGGXVGJYMMKMG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]nc(n1)C(N)C.Cl
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.073g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
220.657g/mol
Monoisotopic Mass:
220.073g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties