Home Sulfos 2-amino-2-methylpropanedinitrile, 4-methylbenzene-1-sulfonic acid

2-amino-2-methylpropanedinitrile, 4-methylbenzene-1-sulfonic acid

CAS No.:
79680-98-1
Catalog Number:
AG01ALV6
Molecular Formula:
C11H13N3O3S
Molecular Weight:
267.3042
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Product Description
Catalog Number:
AG01ALV6
Chemical Name:
2-amino-2-methylpropanedinitrile, 4-methylbenzene-1-sulfonic acid
CAS Number:
79680-98-1
Molecular Formula:
C11H13N3O3S
Molecular Weight:
267.3042
MDL Number:
MFCD28968265
IUPAC Name:
2-amino-2-methylpropanedinitrile;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H8O3S.C4H5N3/c1-6-2-4-7(5-3-6)11(8,9)10;1-4(7,2-5)3-6/h2-5H,1H3,(H,8,9,10);7H2,1H3
InChI Key:
IXDNNUJYHOUFDK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.N#CC(C#N)(N)C
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.068g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.303g/mol
Monoisotopic Mass:
267.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties