Home Other Building Blocks (1-Tosyl-1h-indol-4-yl)methanamine

(1-Tosyl-1h-indol-4-yl)methanamine

CAS No.:
1145678-74-5
Catalog Number:
AG000EPG
Molecular Formula:
C16H16N2O2S
Molecular Weight:
300.3754
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Product Description
Catalog Number:
AG000EPG
Chemical Name:
(1-Tosyl-1h-indol-4-yl)methanamine
CAS Number:
1145678-74-5
Molecular Formula:
C16H16N2O2S
Molecular Weight:
300.3754
MDL Number:
MFCD22573954
IUPAC Name:
[1-(4-methylphenyl)sulfonylindol-4-yl]methanamine
InChI:
InChI=1S/C16H16N2O2S/c1-12-5-7-14(8-6-12)21(19,20)18-10-9-15-13(11-17)3-2-4-16(15)18/h2-10H,11,17H2,1H3
InChI Key:
JHRFJDRMDHBZPF-UHFFFAOYSA-N
SMILES:
NCc1cccc2c1ccn2S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.093g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.376g/mol
Monoisotopic Mass:
300.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties