Home Carboxys methyl 2-(aminomethyl)-1H-1,3-benzodiazole-5-carboxylate dihydrochloride

methyl 2-(aminomethyl)-1H-1,3-benzodiazole-5-carboxylate dihydrochloride

CAS No.:
1803608-17-4
Catalog Number:
AG01BBMR
Molecular Formula:
C10H13Cl2N3O2
Molecular Weight:
278.1351
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Product Description
Catalog Number:
AG01BBMR
Chemical Name:
methyl 2-(aminomethyl)-1H-1,3-benzodiazole-5-carboxylate dihydrochloride
CAS Number:
1803608-17-4
Molecular Formula:
C10H13Cl2N3O2
Molecular Weight:
278.1351
MDL Number:
MFCD28506060
IUPAC Name:
methyl 2-(aminomethyl)-3H-benzimidazole-5-carboxylate;dihydrochloride
InChI:
InChI=1S/C10H11N3O2.2ClH/c1-15-10(14)6-2-3-7-8(4-6)13-9(5-11)12-7;;/h2-4H,5,11H2,1H3,(H,12,13);2*1H
InChI Key:
BUENRHMCXUCVMF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)nc([nH]2)CN.Cl.Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.038g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
278.133g/mol
Monoisotopic Mass:
277.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties