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Home Other Building Blocks 3-(1H-1,3-benzodiazol-1-ylmethyl)benzene-1-carboximidamide trihydrochloride

3-(1H-1,3-benzodiazol-1-ylmethyl)benzene-1-carboximidamide trihydrochloride

CAS No.:
1223492-40-7
Catalog Number:
AG01A7NT
Molecular Formula:
C15H17Cl3N4
Molecular Weight:
359.6813
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Product Description
Catalog Number:
AG01A7NT
Chemical Name:
3-(1H-1,3-benzodiazol-1-ylmethyl)benzene-1-carboximidamide trihydrochloride
CAS Number:
1223492-40-7
Molecular Formula:
C15H17Cl3N4
Molecular Weight:
359.6813
MDL Number:
MFCD14705746
IUPAC Name:
3-(benzimidazol-1-ylmethyl)benzenecarboximidamide;trihydrochloride
InChI:
InChI=1S/C15H14N4.3ClH/c16-15(17)12-5-3-4-11(8-12)9-19-10-18-13-6-1-2-7-14(13)19;;;/h1-8,10H,9H2,(H3,16,17);3*1H
InChI Key:
GCTRTLCDKJYIKH-UHFFFAOYSA-N
SMILES:
NC(=N)c1cccc(c1)Cn1cnc2c1cccc2.Cl.Cl.Cl
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.052g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
359.679g/mol
Monoisotopic Mass:
358.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties