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2619-16-1 | N1,N1-di(2-cyanoethyl)-4-methylbenzene-1-sulfonamide
CAS No: 2619-16-1 Catalog No: AG01CAVT MDL No:MFCD00019861
Product Description
Catalog Number:
AG01CAVT
Chemical Name:
N1,N1-di(2-cyanoethyl)-4-methylbenzene-1-sulfonamide
CAS Number:
2619-16-1
Molecular Formula:
C13H15N3O2S
Molecular Weight:
277.3421
MDL Number:
MFCD00019861
IUPAC Name:
N,N-bis(2-cyanoethyl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C13H15N3O2S/c1-12-4-6-13(7-5-12)19(17,18)16(10-2-8-14)11-3-9-15/h4-7H,2-3,10-11H2,1H3
InChI Key:
QQEHNFXDLPBZSJ-UHFFFAOYSA-N
SMILES:
N#CCCN(S(=O)(=O)c1ccc(cc1)C)CCC#N
NSC Number:
23220
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.342g/mol
Monoisotopic Mass:
277.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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