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101-11-1,MFCD00035761
Catalog No.:AA0003C8
101-11-1 | N-Ethyl-n-benzylaniline-3'-sulfonic acid
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Purity
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Quantity
  
5g
95%
in stock  
$36.00   $25.00
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25g
95%
in stock  
$129.00   $90.00
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100g
95%
in stock  
$429.00   $300.00
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Technical Information
Catalog Number:
AA0003C8
Chemical Name:
N-Ethyl-n-benzylaniline-3'-sulfonic acid
CAS Number:
101-11-1
Molecular Formula:
C15H17NO3S
Molecular Weight:
291.3654
MDL Number:
MFCD00035761
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
SMILES:
CCN(c1ccccc1)Cc1cccc(c1)S(=O)(=O)O
EC Number:
202-916-8
UNII:
9CA7X98HXU
Properties
Computed Properties
 
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  

Synonyms
 
101-11-1 
3-((Ethyl(phenyl)amino)methyl)benzenesulfonic acid 
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-ethyl-N-benzylaniline-3'-sulfonic acid 
N-m-sulphobenzyl-N-ethylaniline 
CHEMBL3186007 
DTXSID5029136 
CTK3J9549 
ZINC1847916 
Ethyl Benzyl Aniline, Sulfonic Acid 
Tox21_300921 
ANW-59695 
MFCD00035761 
AKOS015900085 
UNII-9CA7X98HXU 
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 
3-((Ethylphenylamino)methyl)benzenesulfonic 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]- 
alpha-N-Ethylanilinotoluene-3-sulphonic acid 
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 
3-{[ethyl(phenyl)amino]methyl}benzenesulfonic acid 
AR-1F1350 
alpha-N-ethylanilinotoluen-3-sulfonsyre 
101517-87-7 
Benzenesulfonic acid, 3-[(ethylphenylamino)methyl]- 
9CA7X98HXU 
Benzenesulfonic acid, 3-((ethylphenylamino)methyl)- 
Literature
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