Home Sulfos Benzenemethanamine, 4-(phenylsulfonyl)-

Benzenemethanamine, 4-(phenylsulfonyl)-

CAS No.:
94341-56-7
Catalog Number:
AG00II2P
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00II2P
Chemical Name:
Benzenemethanamine, 4-(phenylsulfonyl)-
CAS Number:
94341-56-7
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD22392055
IUPAC Name:
[4-(benzenesulfonyl)phenyl]methanamine
InChI:
InChI=1S/C13H13NO2S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9H,10,14H2
InChI Key:
MTVXOTIZNSJKIY-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties