Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
N-Ethyl-N-(2-methanesulfonamidoethyl)-2-methyl-1,4-PPD-sesqu	24567-76-8	66693

Structure

Other Information

Canonical SMILES	CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C
Iso SMILES	CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C
InChI	InChI=1S/C12H21N3O2S/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11/h5-6,9,14H,4,7-8,13H2,1-3H3
InChI Key	NPKFETRYYSUTEC-UHFFFAOYSA-N
Formula	C12H21N3O2S
Mol Weight	271.379
XlogP3	1.2
Charge	0

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Synonyms Information

CAS Name	N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide
IUPAC Name	N-[2-(4-amino-N-ethyl-3-methyl-anilino)ethyl]methanesulfonamide
Openeye Name	N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide
Systematic Name	N-[2-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]ethyl]methanesulfonamide
Tratitional Name	N-[2-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]ethyl]methanesulfonamide