Name: Name:n-[(2,3,5,6-tetramethylphenyl)sulfonyl]-beta-alanine
Brand: Angene
SKU: AG00DIR4
Rating: 90 (10 reviews)

n-[(2,3,5,6-tetramethylphenyl)sulfonyl]-beta-alanine

CAS No.:

453581-60-7

Catalog Number:

AG00DIR4

Molecular Formula:

C13H19NO4S

Molecular Weight:

285.3593

Catalog Number:

AG00DIR4

Chemical Name:

n-[(2,3,5,6-tetramethylphenyl)sulfonyl]-beta-alanine

CAS Number:

453581-60-7

Molecular Formula:

C13H19NO4S

Molecular Weight:

285.3593

MDL Number:

MFCD02361179

IUPAC Name:

3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid

InChI:

InChI=1S/C13H19NO4S/c1-8-7-9(2)11(4)13(10(8)3)19(17,18)14-6-5-12(15)16/h7,14H,5-6H2,1-4H3,(H,15,16)

InChI Key:

LJXLBOZCWFCYKY-UHFFFAOYSA-N

SMILES:

OC(=O)CCNS(=O)(=O)c1c(C)c(C)cc(c1C)C

Complexity:

401

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.358g/mol

Monoisotopic Mass:

285.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8