Home Halogens Sodium 4-amino-6-chlorotoluene-3-sulphonate

Sodium 4-amino-6-chlorotoluene-3-sulphonate

CAS No.:
6627-59-4
Catalog Number:
AG003UAQ
Molecular Formula:
C7H7ClNNaO3S
Molecular Weight:
243.6432
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(HPLC)(N)
1 week
United States
$74
- +
500g
>98.0%(HPLC)(N)
1 week
United States
$317
- +
Product Description
Catalog Number:
AG003UAQ
Chemical Name:
Sodium 4-amino-6-chlorotoluene-3-sulphonate
CAS Number:
6627-59-4
Molecular Formula:
C7H7ClNNaO3S
Molecular Weight:
243.6432
MDL Number:
MFCD00070551
IUPAC Name:
sodium;2-amino-4-chloro-5-methylbenzenesulfonate
InChI:
InChI=1S/C7H8ClNO3S.Na/c1-4-2-7(13(10,11)12)6(9)3-5(4)8;/h2-3H,9H2,1H3,(H,10,11,12);/q;+1/p-1
InChI Key:
KMIGBVSYNVXBEI-UHFFFAOYSA-M
SMILES:
Nc1cc(cc(c1C)Cl)S(=O)(=O)[O-].[Na+]
EC Number:
229-596-2
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.973g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.637g/mol
Monoisotopic Mass:
242.973g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Heritable differences in the dopaminergic regulation of behavior in rats: relationship to D2-like receptor G-protein function. Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology 20060401
Properties