Home Other Building Blocks 1-(1H-1,3-benzodiazol-2-yl)-2-methylbutan-1-amine dihydrochloride

1-(1H-1,3-benzodiazol-2-yl)-2-methylbutan-1-amine dihydrochloride

CAS No.:
26128-94-9
Catalog Number:
AG019V6U
Molecular Formula:
C12H19Cl2N3
Molecular Weight:
276.2054
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Product Description
Catalog Number:
AG019V6U
Chemical Name:
1-(1H-1,3-benzodiazol-2-yl)-2-methylbutan-1-amine dihydrochloride
CAS Number:
26128-94-9
Molecular Formula:
C12H19Cl2N3
Molecular Weight:
276.2054
MDL Number:
MFCD12197044
IUPAC Name:
1-(1H-benzimidazol-2-yl)-2-methylbutan-1-amine;dihydrochloride
InChI:
InChI=1S/C12H17N3.2ClH/c1-3-8(2)11(13)12-14-9-6-4-5-7-10(9)15-12;;/h4-8,11H,3,13H2,1-2H3,(H,14,15);2*1H
InChI Key:
LOYFVLXALVSJFL-UHFFFAOYSA-N
SMILES:
CCC(C(c1nc2c([nH]1)cccc2)N)C.Cl.Cl
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.096g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
276.205g/mol
Monoisotopic Mass:
275.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties