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

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

CAS No.:
25810-64-4
Catalog Number:
AG01EJH8
Molecular Formula:
C15H17Cl2N3
Molecular Weight:
310.2216
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Product Description
Catalog Number:
AG01EJH8
Chemical Name:
1-(1H-1,3-benzodiazol-2-yl)-2-phenylethan-1-amine dihydrochloride
CAS Number:
25810-64-4
Molecular Formula:
C15H17Cl2N3
Molecular Weight:
310.2216
MDL Number:
MFCD07199931
IUPAC Name:
1-(1H-benzimidazol-2-yl)-2-phenylethanamine;dihydrochloride
InChI:
InChI=1S/C15H15N3.2ClH/c16-12(10-11-6-2-1-3-7-11)15-17-13-8-4-5-9-14(13)18-15;;/h1-9,12H,10,16H2,(H,17,18);2*1H
InChI Key:
GXDDHNSXNSJJAB-UHFFFAOYSA-N
SMILES:
NC(c1nc2c([nH]1)cccc2)Cc1ccccc1.Cl.Cl
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.08g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
310.222g/mol
Monoisotopic Mass:
309.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties