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3-Iodobenzylamine

CAS No.:
696-40-2
Catalog Number:
AG003JLP
Molecular Formula:
C7H8IN
Molecular Weight:
233.0496
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$88
- +
5g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003JLP
Chemical Name:
3-Iodobenzylamine
CAS Number:
696-40-2
Molecular Formula:
C7H8IN
Molecular Weight:
233.0496
MDL Number:
MFCD00192227
IUPAC Name:
(3-iodophenyl)methanamine
InChI:
InChI=1S/C7H8IN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChI Key:
LQLOGZQVKUNBRX-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)I
NSC Number:
96895
Properties
Complexity:
85  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.97g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.052g/mol
Monoisotopic Mass:
232.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Benzylamines: synthesis and evaluation of antimycobacterial properties. Journal of medicinal chemistry 19840901
Properties