Home Halogens 1H-Benzimidazole-2-methanamine,5-chloro-alpha-methyl-(9CI)

1H-Benzimidazole-2-methanamine,5-chloro-alpha-methyl-(9CI)

CAS No.:
185949-58-0
Catalog Number:
AG00B1I1
Molecular Formula:
C9H10ClN3
Molecular Weight:
195.6488
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Product Description
Catalog Number:
AG00B1I1
Chemical Name:
1H-Benzimidazole-2-methanamine,5-chloro-alpha-methyl-(9CI)
CAS Number:
185949-58-0
Molecular Formula:
C9H10ClN3
Molecular Weight:
195.6488
MDL Number:
MFCD09881842
IUPAC Name:
1-(6-chloro-1H-benzimidazol-2-yl)ethanamine
InChI:
InChI=1S/C9H10ClN3/c1-5(11)9-12-7-3-2-6(10)4-8(7)13-9/h2-5H,11H2,1H3,(H,12,13)
InChI Key:
CJBPHHBATSLCHJ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc([nH]2)C(N)C
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.65g/mol
Monoisotopic Mass:
195.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties