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89664-15-3

89664-15-3 | 1-Naphthalenesulfonamide, N-(cyanomethyl)-5-(dimethylamino)-

CAS No: 89664-15-3 Catalog No: AG0044VI MDL No:

Product Description

Catalog Number:
AG0044VI
Chemical Name:
1-Naphthalenesulfonamide, N-(cyanomethyl)-5-(dimethylamino)-
CAS Number:
89664-15-3
Molecular Formula:
C14H15N3O2S
Molecular Weight:
289.3528
IUPAC Name:
N-(cyanomethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
InChI:
InChI=1S/C14H15N3O2S/c1-17(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)16-10-9-15/h3-8,16H,10H2,1-2H3
InChI Key:
HAIIXWXURVTTCG-UHFFFAOYSA-N
SMILES:
N#CCNS(=O)(=O)c1cccc2c1cccc2N(C)C

Properties

Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.088g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.353g/mol
Monoisotopic Mass:
289.088g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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