Home Halogens [1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine dihydrochloride

[1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine dihydrochloride

CAS No.:
1864058-48-9
Catalog Number:
AG01AUY1
Molecular Formula:
C10H14Cl3N3
Molecular Weight:
282.5973
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Product Description
Catalog Number:
AG01AUY1
Chemical Name:
[1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine dihydrochloride
CAS Number:
1864058-48-9
Molecular Formula:
C10H14Cl3N3
Molecular Weight:
282.5973
MDL Number:
MFCD29041252
IUPAC Name:
1-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;dihydrochloride
InChI:
InChI=1S/C10H12ClN3.2ClH/c1-6(12-2)10-13-8-4-3-7(11)5-9(8)14-10;;/h3-6,12H,1-2H3,(H,13,14);2*1H
InChI Key:
XWGZHGYGJMMZGE-UHFFFAOYSA-N
SMILES:
CNC(c1nc2c([nH]1)ccc(c2)Cl)C.Cl.Cl
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.025g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
282.593g/mol
Monoisotopic Mass:
281.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties