Home Halogens 1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

CAS No.:
1955499-74-7
Catalog Number:
AG01B66S
Molecular Formula:
C9H12Cl3N3
Molecular Weight:
268.5707
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Product Description
Catalog Number:
AG01B66S
Chemical Name:
1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride
CAS Number:
1955499-74-7
Molecular Formula:
C9H12Cl3N3
Molecular Weight:
268.5707
MDL Number:
MFCD30181295
IUPAC Name:
1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
InChI:
InChI=1S/C9H10ClN3.2ClH/c1-5(11)9-12-7-3-2-6(10)4-8(7)13-9;;/h2-5H,11H2,1H3,(H,12,13);2*1H
InChI Key:
MYNGIADJNNIMAS-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc([nH]2)C(N)C.Cl.Cl
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.01g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
268.566g/mol
Monoisotopic Mass:
267.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties