Aniline and substituted anilines

Organic compounds that consist of a phenyl group attached to an amino group; aniline is the simplest aromatic amine. Anilines with additional substitutions are included.

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Blue Tetrazolium chloride

CAS: 1871-22-3 Molecular Formula: C40H36Cl2N8O2 Molecular Weight (g/mol): 731.68 MDL Number: MFCD00040933 InChI Key: RCEHREKDVGHYAM-UHFFFAOYSA-N Synonym: blue tetrazolium chloride,tetrazolium blue,tetrazolium blue chloride,blue tetrazolium,dimethoxy neotetrazolium,4-anisyltetrazolium blue,3,3'-3,3'-dimethoxy-1,1'-biphenyl-4,4'-diyl bis 2,5-diphenyl-2h-tetrazol-3-ium chloride,3,3'-dianisole-4,4'-bis 3,5-diphenyltetrazolium chloride,3,3'-dianisolebis 4,4'-3,5-diphenyl tetrazolium chloride,3,3'-3,3'-dimethoxy-4,4'-biphenylene bis 2,5-diphenyl-2h-tetrazolium chloride PubChem CID: 9853362 ChEBI: CHEBI:75198 IUPAC Name: 2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium;dichloride SMILES: [H+].[H+].[Cl-].[Cl-].COC1=CC(=CC=C1N1NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(N2NC(=NN2C2=CC=CC=C2)C2=CC=CC=C2)C(OC)=C1

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PubChem CID	9853362
CAS	1871-22-3
Molecular Weight (g/mol)	731.68
ChEBI	CHEBI:75198
MDL Number	MFCD00040933
SMILES	[H+].[H+].[Cl-].[Cl-].COC1=CC(=CC=C1N1NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(N2NC(=NN2C2=CC=CC=C2)C2=CC=CC=C2)C(OC)=C1
Synonym	blue tetrazolium chloride,tetrazolium blue,tetrazolium blue chloride,blue tetrazolium,dimethoxy neotetrazolium,4-anisyltetrazolium blue,3,3'-3,3'-dimethoxy-1,1'-biphenyl-4,4'-diyl bis 2,5-diphenyl-2h-tetrazol-3-ium chloride,3,3'-dianisole-4,4'-bis 3,5-diphenyltetrazolium chloride,3,3'-dianisolebis 4,4'-3,5-diphenyl tetrazolium chloride,3,3'-3,3'-dimethoxy-4,4'-biphenylene bis 2,5-diphenyl-2h-tetrazolium chloride
IUPAC Name	2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium;dichloride
InChI Key	RCEHREKDVGHYAM-UHFFFAOYSA-N
Molecular Formula	C40H36Cl2N8O2

N-(2,4-Dinitrophenyl)-L-serine 98.0+%, TCI America™

CAS: 1655-64-7 Molecular Formula: C9H9N3O7 Molecular Weight (g/mol): 271.185 MDL Number: MFCD00038098 InChI Key: SBQZBOCQYMVLTC-ZETCQYMHSA-N Synonym: n-2,4-dinitrophenyl-l-serine,dnp-ser,n-dnp-l-serine,2s-2-2,4-dinitrophenyl amino-3-hydroxypropanoic acid,1oau,serine, n-2,4-dinitrophenyl-, dl,dnp-ser-oh,ser-dnf,n-2-4-dnp-l-serine,n-2,4-dnp-l-serine PubChem CID: 96800 ChEBI: CHEBI:53084 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CO)C(=O)O

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PubChem CID	96800
CAS	1655-64-7
Molecular Weight (g/mol)	271.185
ChEBI	CHEBI:53084
MDL Number	MFCD00038098
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CO)C(=O)O
Synonym	n-2,4-dinitrophenyl-l-serine,dnp-ser,n-dnp-l-serine,2s-2-2,4-dinitrophenyl amino-3-hydroxypropanoic acid,1oau,serine, n-2,4-dinitrophenyl-, dl,dnp-ser-oh,ser-dnf,n-2-4-dnp-l-serine,n-2,4-dnp-l-serine
InChI Key	SBQZBOCQYMVLTC-ZETCQYMHSA-N
Molecular Formula	C9H9N3O7

4-Fluoro-2-methoxyaniline, 95%

CAS: 450-91-9 Molecular Formula: C7H8FNO Molecular Weight (g/mol): 141.15 MDL Number: MFCD00077536 InChI Key: BNRRMRUVYDETQC-UHFFFAOYSA-N Synonym: 2-methoxy-4-fluoroaniline,2-amino-5-fluoroanisole,4-fluoro-2-methoxybenzenamine,benzenamine, 4-fluoro-2-methoxy,2-amino-5-fluoroanisole 4-fluoro-2-methoxyaniline,4-fluoro-o-anisidine,acmc-1aegy,4-fluoro-2-methoxy-aniline,ksc798g5t,4-fluoro-2-methoxyphenylamine PubChem CID: 13532228 IUPAC Name: 4-fluoro-2-methoxyaniline SMILES: COC1=C(N)C=CC(F)=C1

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PubChem CID	13532228
CAS	450-91-9
Molecular Weight (g/mol)	141.15
MDL Number	MFCD00077536
SMILES	COC1=C(N)C=CC(F)=C1
Synonym	2-methoxy-4-fluoroaniline,2-amino-5-fluoroanisole,4-fluoro-2-methoxybenzenamine,benzenamine, 4-fluoro-2-methoxy,2-amino-5-fluoroanisole 4-fluoro-2-methoxyaniline,4-fluoro-o-anisidine,acmc-1aegy,4-fluoro-2-methoxy-aniline,ksc798g5t,4-fluoro-2-methoxyphenylamine
IUPAC Name	4-fluoro-2-methoxyaniline
InChI Key	BNRRMRUVYDETQC-UHFFFAOYSA-N
Molecular Formula	C7H8FNO

LiChropur™ N-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, For chiral derivatization, ≥99.0%, MilliporeSigma™ Supelco™

MDL Number: MFCD00042049 Synonym: FDAA; Marfey′s reagent

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MDL Number	MFCD00042049
Synonym	FDAA; Marfey′s reagent

4-Chloro-2,5-dimethoxyaniline, 98%

CAS: 6358-64-1 Molecular Formula: C8H10ClNO2 Molecular Weight (g/mol): 187.62 MDL Number: MFCD00014893 InChI Key: YGUFQYGSBVXPMC-UHFFFAOYSA-N Synonym: 2,5-dimethoxy-4-chloroaniline,benzenamine, 4-chloro-2,5-dimethoxy,aniline, 4-chloro-2,5-dimethoxy,unii-t659iw8p4s,4-chloro-2,5-dimethoxyphenylamine,pubchem4366,acmc-1b2t2,dsstox_cid_20718,dsstox_rid_79565,dsstox_gsid_40718 PubChem CID: 22833 IUPAC Name: 4-chloro-2,5-dimethoxyaniline SMILES: COC1=CC(Cl)=C(OC)C=C1N

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PubChem CID	22833
CAS	6358-64-1
Molecular Weight (g/mol)	187.62
MDL Number	MFCD00014893
SMILES	COC1=CC(Cl)=C(OC)C=C1N
Synonym	2,5-dimethoxy-4-chloroaniline,benzenamine, 4-chloro-2,5-dimethoxy,aniline, 4-chloro-2,5-dimethoxy,unii-t659iw8p4s,4-chloro-2,5-dimethoxyphenylamine,pubchem4366,acmc-1b2t2,dsstox_cid_20718,dsstox_rid_79565,dsstox_gsid_40718
IUPAC Name	4-chloro-2,5-dimethoxyaniline
InChI Key	YGUFQYGSBVXPMC-UHFFFAOYSA-N
Molecular Formula	C8H10ClNO2

3-Fluoro-4-methoxyaniline, 99%

CAS: 366-99-4 Molecular Formula: C₇H₈FNO Molecular Weight (g/mol): 141.15 MDL Number: MFCD00075040 InChI Key: LJWAPDSCYTZUJU-UHFFFAOYSA-N Synonym: 3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine PubChem CID: 581110 IUPAC Name: 3-fluoro-4-methoxyaniline SMILES: COC1=C(C=C(C=C1)N)F

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PubChem CID	581110
CAS	366-99-4
Molecular Weight (g/mol)	141.15
MDL Number	MFCD00075040
SMILES	COC1=C(C=C(C=C1)N)F
Synonym	3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine
IUPAC Name	3-fluoro-4-methoxyaniline
InChI Key	LJWAPDSCYTZUJU-UHFFFAOYSA-N
Molecular Formula	C₇H₈FNO

2-Bromo-5-nitroaniline, 98%

CAS: 10403-47-1 Molecular Formula: C₆H₅BrN₂O₂ Molecular Weight (g/mol): 217.02 MDL Number: MFCD00051578 InChI Key: BAAUCXCLMDAZEL-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-5-nitro,2-bromo-5-nitrobenzenamine,3-amino-4-bromonitrobenzene,2-bromo-5-nitro-phenylamine,2-bromo-5-nitrophenylamine,pubchem21903,2-bromo 5-nitroaniline,2-bromo-5-nitro-aniline,2-bromo-5-nitro aniline,acmc-2098ai PubChem CID: 82607 IUPAC Name: 2-bromo-5-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)Br

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PubChem CID	82607
CAS	10403-47-1
Molecular Weight (g/mol)	217.02
MDL Number	MFCD00051578
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])N)Br
Synonym	benzenamine, 2-bromo-5-nitro,2-bromo-5-nitrobenzenamine,3-amino-4-bromonitrobenzene,2-bromo-5-nitro-phenylamine,2-bromo-5-nitrophenylamine,pubchem21903,2-bromo 5-nitroaniline,2-bromo-5-nitro-aniline,2-bromo-5-nitro aniline,acmc-2098ai
IUPAC Name	2-bromo-5-nitroaniline
InChI Key	BAAUCXCLMDAZEL-UHFFFAOYSA-N
Molecular Formula	C₆H₅BrN₂O₂

3,4-Diaminoanisole dihydrochloride, 98%

CAS: 59548-39-9 Molecular Formula: C₇H₁₀N₂O·₂ClH Molecular Weight (g/mol): 211.09 InChI Key: SXCHMHOBHJOXGC-UHFFFAOYSA-N Synonym: 4-methoxybenzene-1,2-diamine dihydrochloride,4-methoxy-o-phenylenediamine dihydrochloride,3,4-diaminoanisole dihydrochloride,1,2-benzenediamine, 4-methoxy-, dihydrochloride,3,4-diaminoanisole 2hcl,4-methoxy-phenylenediamine dihydrochloride,4-methoxy-1,2-benzenediamine dihydrochloride,4-methoxy-benzene-1,2-diamine dihydrochloride,4-methoxy-1,2-phenylenediamine dihydrochloride,4-methoxy-l,2-phenylene diamine dihydrochloride PubChem CID: 3085161 IUPAC Name: 4-methoxybenzene-1,2-diamine;dihydrochloride SMILES: COC1=CC(=C(C=C1)N)N.Cl.Cl

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PubChem CID	3085161
CAS	59548-39-9
Molecular Weight (g/mol)	211.09
SMILES	COC1=CC(=C(C=C1)N)N.Cl.Cl
Synonym	4-methoxybenzene-1,2-diamine dihydrochloride,4-methoxy-o-phenylenediamine dihydrochloride,3,4-diaminoanisole dihydrochloride,1,2-benzenediamine, 4-methoxy-, dihydrochloride,3,4-diaminoanisole 2hcl,4-methoxy-phenylenediamine dihydrochloride,4-methoxy-1,2-benzenediamine dihydrochloride,4-methoxy-benzene-1,2-diamine dihydrochloride,4-methoxy-1,2-phenylenediamine dihydrochloride,4-methoxy-l,2-phenylene diamine dihydrochloride
IUPAC Name	4-methoxybenzene-1,2-diamine;dihydrochloride
InChI Key	SXCHMHOBHJOXGC-UHFFFAOYSA-N
Molecular Formula	C₇H₁₀N₂O·₂ClH

3-Methoxyphenyl isocyanate, 99%

CAS: 18908-07-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00002019 InChI Key: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC Name: 1-isocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=O

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PubChem CID	87843
CAS	18908-07-1
Molecular Weight (g/mol)	149.149
MDL Number	MFCD00002019
SMILES	COC1=CC=CC(=C1)N=C=O
Synonym	3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate
IUPAC Name	1-isocyanato-3-methoxybenzene
InChI Key	NPOVTGVGOBJZPY-UHFFFAOYSA-N
Molecular Formula	C8H7NO2

1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 187998-64-7 Molecular Formula: C12H12N2O3 Molecular Weight (g/mol): 232.239 MDL Number: MFCD02677745 InChI Key: JPFGKGZYCXLEGQ-UHFFFAOYSA-N PubChem CID: 2776133 IUPAC Name: 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid SMILES: CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)O

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Specifications

PubChem CID	2776133
CAS	187998-64-7
Molecular Weight (g/mol)	232.239
MDL Number	MFCD02677745
SMILES	CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)O
IUPAC Name	1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid
InChI Key	JPFGKGZYCXLEGQ-UHFFFAOYSA-N
Molecular Formula	C12H12N2O3

2-Methoxy-5-methylphenyl isocyanate, 97%

CAS: 59741-04-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00013869 InChI Key: IDOHLSFNBKNRRJ-UHFFFAOYSA-N Synonym: 2-methoxy-5-methylphenyl isocyanate,2-methoxy-5-methylphenylisocyanate,2-isocyanato-1-methoxy-4-methyl-benzene,benzene, 2-isocyanato-1-methoxy-4-methyl,acmc-20anrw,2-methoxy-5-methylbenzenisocyanate,2-methoxy-5-methylpheny lisocyanate,2-isocyanato-1-methyloxy-4-methylbenzene,benzene, 2-isocyanato-1-methoxy-4-methyl-9ci PubChem CID: 4141520 IUPAC Name: 2-isocyanato-1-methoxy-4-methylbenzene SMILES: CC1=CC(=C(C=C1)OC)N=C=O

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PubChem CID	4141520
CAS	59741-04-7
Molecular Weight (g/mol)	163.176
MDL Number	MFCD00013869
SMILES	CC1=CC(=C(C=C1)OC)N=C=O
Synonym	2-methoxy-5-methylphenyl isocyanate,2-methoxy-5-methylphenylisocyanate,2-isocyanato-1-methoxy-4-methyl-benzene,benzene, 2-isocyanato-1-methoxy-4-methyl,acmc-20anrw,2-methoxy-5-methylbenzenisocyanate,2-methoxy-5-methylpheny lisocyanate,2-isocyanato-1-methyloxy-4-methylbenzene,benzene, 2-isocyanato-1-methoxy-4-methyl-9ci
IUPAC Name	2-isocyanato-1-methoxy-4-methylbenzene
InChI Key	IDOHLSFNBKNRRJ-UHFFFAOYSA-N
Molecular Formula	C9H9NO2

2-Bromoaniline, 98%

CAS: 615-36-1 Molecular Formula: C₆H₆BrN Molecular Weight (g/mol): 172.02 InChI Key: AOPBDRUWRLBSDB-UHFFFAOYSA-N PubChem CID: 11992 IUPAC Name: 2-bromoaniline SMILES: C1=CC=C(C(=C1)N)Br

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PubChem CID	11992
CAS	615-36-1
Molecular Weight (g/mol)	172.02
SMILES	C1=CC=C(C(=C1)N)Br
IUPAC Name	2-bromoaniline
InChI Key	AOPBDRUWRLBSDB-UHFFFAOYSA-N
Molecular Formula	C₆H₆BrN

5-chloro-2-methoxyphenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 63429-99-2 Molecular Formula: C8H6ClNOS Molecular Weight (g/mol): 199.652 MDL Number: MFCD00041073 InChI Key: WGLDKQQXEWPFAR-UHFFFAOYSA-N Synonym: 5-chloro-2-methoxyphenyl isothiocyanate,4-chloro-2-isothiocyanato-1-methoxy-benzene,2-methoxy-5-chlorophenyl isothiocyanate,5-chloro-2-methoxybenzenisothiocyanate,4-chloranyl-2-isothiocyanato-1-methoxy-benzene,acmc-20am4k,4-chloro-2-isothiocyanatoanisole,5-chloro-2-methoxyphenylisothiocyanate,5-chloro-2-methoxyphenyl-isothiocyanate,benzene, 4-chloro-2-isothiocyanato-1-methoxy PubChem CID: 737165 IUPAC Name: 4-chloro-2-isothiocyanato-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)Cl)N=C=S

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PubChem CID	737165
CAS	63429-99-2
Molecular Weight (g/mol)	199.652
MDL Number	MFCD00041073
SMILES	COC1=C(C=C(C=C1)Cl)N=C=S
Synonym	5-chloro-2-methoxyphenyl isothiocyanate,4-chloro-2-isothiocyanato-1-methoxy-benzene,2-methoxy-5-chlorophenyl isothiocyanate,5-chloro-2-methoxybenzenisothiocyanate,4-chloranyl-2-isothiocyanato-1-methoxy-benzene,acmc-20am4k,4-chloro-2-isothiocyanatoanisole,5-chloro-2-methoxyphenylisothiocyanate,5-chloro-2-methoxyphenyl-isothiocyanate,benzene, 4-chloro-2-isothiocyanato-1-methoxy
IUPAC Name	4-chloro-2-isothiocyanato-1-methoxybenzene
InChI Key	WGLDKQQXEWPFAR-UHFFFAOYSA-N
Molecular Formula	C8H6ClNOS

4-Dimethylamino-2-methoxybenzaldehyde, 98%

CAS: 84562-48-1 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00151814 InChI Key: HGDRXADJVGVGBC-UHFFFAOYSA-N PubChem CID: 291350 IUPAC Name: 4-(dimethylamino)-2-methoxybenzaldehyde SMILES: CN(C)C1=CC(=C(C=C1)C=O)OC

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Specifications

PubChem CID	291350
CAS	84562-48-1
Molecular Weight (g/mol)	179.219
MDL Number	MFCD00151814
SMILES	CN(C)C1=CC(=C(C=C1)C=O)OC
IUPAC Name	4-(dimethylamino)-2-methoxybenzaldehyde
InChI Key	HGDRXADJVGVGBC-UHFFFAOYSA-N
Molecular Formula	C10H13NO2

2,6-Dibromoaniline, 97%, Thermo Scientific Chemicals

CAS: 608-30-0 Molecular Formula: C6H5Br2N Molecular Weight (g/mol): 250.92 MDL Number: MFCD00007638 InChI Key: XIRRDAWDNHRRLB-UHFFFAOYSA-N Synonym: benzenamine, 2,6-dibromo,2,6-dibromophenylamine,2,6-dibromobenzenamine,aniline, 2,6-dibromo,2,6-dibromo-phenylamine,2,6-dibromo-aniline,acmc-1aycf,2,6-dibromoaniline,2,6-dibromo-phenyl-amine,ksc356c3l PubChem CID: 69098 IUPAC Name: 2,6-dibromoaniline SMILES: NC1=C(Br)C=CC=C1Br

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Specifications

PubChem CID	69098
CAS	608-30-0
Molecular Weight (g/mol)	250.92
MDL Number	MFCD00007638
SMILES	NC1=C(Br)C=CC=C1Br
Synonym	benzenamine, 2,6-dibromo,2,6-dibromophenylamine,2,6-dibromobenzenamine,aniline, 2,6-dibromo,2,6-dibromo-phenylamine,2,6-dibromo-aniline,acmc-1aycf,2,6-dibromoaniline,2,6-dibromo-phenyl-amine,ksc356c3l
IUPAC Name	2,6-dibromoaniline
InChI Key	XIRRDAWDNHRRLB-UHFFFAOYSA-N
Molecular Formula	C6H5Br2N

Aniline and substituted anilines

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