Home Carboxys ethyl 4-(aminomethyl)-1H-imidazole-5-carboxylate dihydrochloride

ethyl 4-(aminomethyl)-1H-imidazole-5-carboxylate dihydrochloride

CAS No.:
2138039-31-1
Catalog Number:
AG01EI7D
Molecular Formula:
C7H13Cl2N3O2
Molecular Weight:
242.1030
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Product Description
Catalog Number:
AG01EI7D
Chemical Name:
ethyl 4-(aminomethyl)-1H-imidazole-5-carboxylate dihydrochloride
CAS Number:
2138039-31-1
Molecular Formula:
C7H13Cl2N3O2
Molecular Weight:
242.1030
MDL Number:
MFCD31449539
IUPAC Name:
ethyl 5-(aminomethyl)-1H-imidazole-4-carboxylate;dihydrochloride
InChI:
InChI=1S/C7H11N3O2.2ClH/c1-2-12-7(11)6-5(3-8)9-4-10-6;;/h4H,2-3,8H2,1H3,(H,9,10);2*1H
InChI Key:
LUTQZJVONJDNNK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cnc1CN.Cl.Cl
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
242.1g/mol
Monoisotopic Mass:
241.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties