AG0003F0

101-11-1 | Benzenesulfonic acid, 3-[(ethylphenylamino)methyl]-

AG0003F0

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CAS Number	101-11-1
Catalog Number	AG0003F0(AGN-PC-0JL7FX)
Chemical Name	Benzenesulfonic acid, 3-[(ethylphenylamino)methyl]-
EC Number	202-916-8
IUPAC Name	3-[(N-ethylanilino)methyl]benzenesulfonic acid
InChI	InChI=1S/C15H17NO3S/c1-2-16(14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)
InChI Key	BQGRVFPPZJPWPB-UHFFFAOYSA-N
MDL Number	MFCD00035761
Molecular Formula	C15H17NO3S
Molecular Weight	291.3654
SMILES	CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C1=CC=CC=C1
UNII	9CA7X98HXU
Synonyms	101-11-1, 3-((Ethyl(phenyl)amino)methyl)benzenesulfonic acid, N-ethyl-N-benzylaniline-3'-sulfonic acid, UNII-9CA7X98HXU, 3-((Ethylphenylamino)methyl)benzenesulfonic acid, alpha-N-Ethylanilinotoluene-3-sulphonic acid, 3-{[ethyl(phenyl)amino]methyl}benzenesulfonic acid, Benzenesulfonic acid, 3-[(ethylphenylamino)methyl]-, 9CA7X98HXU, Benzenesulfonic acid, 3-((ethylphenylamino)methyl)-, W-108927, EINECS 202-916-8, AC1Q6WRH, DSSTox_CID_9136, alpha-(N-Ethylanilino)-m-toluenesulfonic acid, AC1L26BK, DSSTox_RID_78679, DSSTox_GSID_29136, SCHEMBL735955, Jsp000191, N-m-sulphobenzyl-N-ethylaniline, CHEMBL3186007, DTXSID5029136, CTK3J9549, ZINC1847916, Ethyl Benzyl Aniline, Sulfonic Acid, Tox21_300921, ANW-59695, MFCD00035761, AKOS015900085, GS-3444, NCGC00248209-01, NCGC00254824-01, AJ-31984, AK-41193, CAS-101-11-1, N-ETHYL-N-(3-SULFOBENZYL)ANILINE, P896, SC-15167, N-ethyl-N-benzyl aniline-3'-sulfonic acid, AX8144292, ST2410335, TC-148440, FT-0631532, 3-[(N-ethylanilino)methyl]benzenesulfonic acid, K-0212, .alpha.-(N-Ethylanilino)-m-toluenesulfonic acid, m-Toluenesulfonic acid, alpha-(N-ethylanilino)-, N-ETHYL-N-BENZYLANILINE-3`-SULFONIC ACID, Benzenesulfonic acid,3-[(ethylphenylamino)methyl]-, C-28000, 3-{[ethyl(phenyl)amino]methyl}benzene-1-sulfonic acid, I14-10722, N-Ethyl-N-benzylaniline-3'-sulfonic acid, AldrichCPR, alpha-(N-ETHYLANILINO)-m-TOLUENESULFONIC ACID,TECH, EBASA, C15H17NO3S, 2,3-DIMETHYLBENZOIC ACID, CID66858, C15-H17-N-O3-S, AR-1F1350, alpha-N-ethylanilinotoluen-3-sulfonsyre, 101517-87-7,

Complexity	384
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.093g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	291.365g/mol
Monoisotopic Mass	291.093g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number