Benzenoids
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4-Fluoro-3-methylbenzaldehyde 98.0+%, TCI America™
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CAS: 135427-08-6 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.141 MDL Number: MFCD01631431 InChI Key: NRFKZFFVTGGEQF-UHFFFAOYSA-N Synonym: 4-fluoro-3-methyl benzaldehyde,benzaldehyde, 4-fluoro-3-methyl,3-methyl-4-fluorobenzaldehyde,4-fluoro-3-methyl-benzaldehyde,4-fluoro-3-methylbenzaldehyde,pubchem1457,acmc-1chue,ksc494g7n,pharmabridge p-3415,3-methyl-4-fluoro benzaldehyde PubChem CID: 2734874 IUPAC Name: 4-fluoro-3-methylbenzaldehyde SMILES: CC1=C(C=CC(=C1)C=O)F
| PubChem CID | 2734874 |
|---|---|
| CAS | 135427-08-6 |
| Molecular Weight (g/mol) | 138.141 |
| MDL Number | MFCD01631431 |
| SMILES | CC1=C(C=CC(=C1)C=O)F |
| Synonym | 4-fluoro-3-methyl benzaldehyde,benzaldehyde, 4-fluoro-3-methyl,3-methyl-4-fluorobenzaldehyde,4-fluoro-3-methyl-benzaldehyde,4-fluoro-3-methylbenzaldehyde,pubchem1457,acmc-1chue,ksc494g7n,pharmabridge p-3415,3-methyl-4-fluoro benzaldehyde |
| IUPAC Name | 4-fluoro-3-methylbenzaldehyde |
| InChI Key | NRFKZFFVTGGEQF-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO |
1-Chloronaphthalene 85.0+%, TCI America™
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CAS: 90-13-1 Molecular Formula: C10H7Cl Molecular Weight (g/mol): 162.616 MDL Number: MFCD00003874 InChI Key: JTPNRXUCIXHOKM-UHFFFAOYSA-N Synonym: alpha-chloronaphthalene,naphthalene, 1-chloro,1-naphthyl chloride,chloronaphthalene,1-chloro-naphthalene,alpha-naphthyl chloride,1-chlornaftalen,1-chloro naphthalene,alpha-chlornaphthalene,.alpha.-chloronaphthalene PubChem CID: 7003 IUPAC Name: 1-chloronaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2Cl
| PubChem CID | 7003 |
|---|---|
| CAS | 90-13-1 |
| Molecular Weight (g/mol) | 162.616 |
| MDL Number | MFCD00003874 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2Cl |
| Synonym | alpha-chloronaphthalene,naphthalene, 1-chloro,1-naphthyl chloride,chloronaphthalene,1-chloro-naphthalene,alpha-naphthyl chloride,1-chlornaftalen,1-chloro naphthalene,alpha-chlornaphthalene,.alpha.-chloronaphthalene |
| IUPAC Name | 1-chloronaphthalene |
| InChI Key | JTPNRXUCIXHOKM-UHFFFAOYSA-N |
| Molecular Formula | C10H7Cl |
4-Chloro-2-nitrophenol 98.0+%, TCI America™
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CAS: 89-64-5 Molecular Formula: C6H4ClNO3 Molecular Weight (g/mol): 173.55 MDL Number: MFCD00007113 InChI Key: NWSIFTLPLKCTSX-UHFFFAOYSA-N Synonym: 2-nitro-4-chlorophenol,phenol, 4-chloro-2-nitro,unii-438lq62wnh,4-chloro-2-nitro-phenol,4-chloro-6-nitrophenol,acmc-209r2b,5-chloro-2-hydroxynitrobenzene,4-chloro-2-nitrophenol PubChem CID: 6980 IUPAC Name: 4-chloro-2-nitrophenol SMILES: OC1=CC=C(Cl)C=C1[N+]([O-])=O
| PubChem CID | 6980 |
|---|---|
| CAS | 89-64-5 |
| Molecular Weight (g/mol) | 173.55 |
| MDL Number | MFCD00007113 |
| SMILES | OC1=CC=C(Cl)C=C1[N+]([O-])=O |
| Synonym | 2-nitro-4-chlorophenol,phenol, 4-chloro-2-nitro,unii-438lq62wnh,4-chloro-2-nitro-phenol,4-chloro-6-nitrophenol,acmc-209r2b,5-chloro-2-hydroxynitrobenzene,4-chloro-2-nitrophenol |
| IUPAC Name | 4-chloro-2-nitrophenol |
| InChI Key | NWSIFTLPLKCTSX-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO3 |
Coronene 83.0+%, TCI America™
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CAS: 191-07-1 Molecular Formula: C24H12 Molecular Weight (g/mol): 300.36 MDL Number: MFCD00004134 InChI Key: VPUGDVKSAQVFFS-UHFFFAOYSA-N Synonym: hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul PubChem CID: 9115 ChEBI: CHEBI:29863 IUPAC Name: coronene SMILES: C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61
| PubChem CID | 9115 |
|---|---|
| CAS | 191-07-1 |
| Molecular Weight (g/mol) | 300.36 |
| ChEBI | CHEBI:29863 |
| MDL Number | MFCD00004134 |
| SMILES | C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61 |
| Synonym | hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul |
| IUPAC Name | coronene |
| InChI Key | VPUGDVKSAQVFFS-UHFFFAOYSA-N |
| Molecular Formula | C24H12 |
2-(4-Chloro-3-nitrobenzoyl)benzoic Acid 97.0+%, TCI America™
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CAS: 85-54-1 Molecular Formula: C14H8ClNO5 Molecular Weight (g/mol): 305.67 MDL Number: MFCD00007082 InChI Key: RITAQDHCJBLSSL-UHFFFAOYSA-N Synonym: 2-4-chloro-3-nitrobenzoyl benzoic acid,benzoic acid, 2-4-chloro-3-nitrobenzoyl,3'-nitro-4'-chlorobenzoylbenzoic acid,benzoic acid, o-4-chloro-3-nitrobenzoyl,2-4-chloro-3-nitrophenyl carbonyl benzoic acid,acmc-209q6m,ksc496o4t,o-4-chloro-3-nitrobenzoyl benzoic acid,2-4-chloro-3-nitro-benzoyl benzoic acid,2-4'-chloro-3'-nitrobenzoyl benzoic acid PubChem CID: 66562 IUPAC Name: 2-(4-chloro-3-nitrobenzoyl)benzoic acid SMILES: OC(=O)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
| PubChem CID | 66562 |
|---|---|
| CAS | 85-54-1 |
| Molecular Weight (g/mol) | 305.67 |
| MDL Number | MFCD00007082 |
| SMILES | OC(=O)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O |
| Synonym | 2-4-chloro-3-nitrobenzoyl benzoic acid,benzoic acid, 2-4-chloro-3-nitrobenzoyl,3'-nitro-4'-chlorobenzoylbenzoic acid,benzoic acid, o-4-chloro-3-nitrobenzoyl,2-4-chloro-3-nitrophenyl carbonyl benzoic acid,acmc-209q6m,ksc496o4t,o-4-chloro-3-nitrobenzoyl benzoic acid,2-4-chloro-3-nitro-benzoyl benzoic acid,2-4'-chloro-3'-nitrobenzoyl benzoic acid |
| IUPAC Name | 2-(4-chloro-3-nitrobenzoyl)benzoic acid |
| InChI Key | RITAQDHCJBLSSL-UHFFFAOYSA-N |
| Molecular Formula | C14H8ClNO5 |
2-Chloro-1-methylpyridinium p-Toluenesulfonate 98.0+%, TCI America™
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CAS: 7403-46-5 Molecular Formula: C13H14ClNO3S Molecular Weight (g/mol): 299.769 MDL Number: MFCD00011985 InChI Key: KWNGIKVZXFFZNN-UHFFFAOYSA-M PubChem CID: 10990220 IUPAC Name: 2-chloro-1-methylpyridin-1-ium;4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1Cl
| PubChem CID | 10990220 |
|---|---|
| CAS | 7403-46-5 |
| Molecular Weight (g/mol) | 299.769 |
| MDL Number | MFCD00011985 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1Cl |
| IUPAC Name | 2-chloro-1-methylpyridin-1-ium;4-methylbenzenesulfonate |
| InChI Key | KWNGIKVZXFFZNN-UHFFFAOYSA-M |
| Molecular Formula | C13H14ClNO3S |
2-Fluoro-6-iodobenzoic Acid 98.0+%, TCI America™
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CAS: 111771-08-5 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD00042289 InChI Key: CYCXAPWOBWWNRK-UHFFFAOYSA-N Synonym: 6-fluoro-2-iodobenzoic acid,benzoic acid, 2-fluoro-6-iodo,maybridge3_007452,pubchem1386,acmc-2099an,2-fluoro-6-iodobenzoicacid,2-fluoro-6-iodo benzoic acid,2-fluoro-6-iodo-benzoic acid,rarechem al bo 0280,attercop-chm at126295 PubChem CID: 2733302 IUPAC Name: 2-fluoro-6-iodobenzoic acid SMILES: C1=CC(=C(C(=C1)I)C(=O)O)F
| PubChem CID | 2733302 |
|---|---|
| CAS | 111771-08-5 |
| Molecular Weight (g/mol) | 266.01 |
| MDL Number | MFCD00042289 |
| SMILES | C1=CC(=C(C(=C1)I)C(=O)O)F |
| Synonym | 6-fluoro-2-iodobenzoic acid,benzoic acid, 2-fluoro-6-iodo,maybridge3_007452,pubchem1386,acmc-2099an,2-fluoro-6-iodobenzoicacid,2-fluoro-6-iodo benzoic acid,2-fluoro-6-iodo-benzoic acid,rarechem al bo 0280,attercop-chm at126295 |
| IUPAC Name | 2-fluoro-6-iodobenzoic acid |
| InChI Key | CYCXAPWOBWWNRK-UHFFFAOYSA-N |
| Molecular Formula | C7H4FIO2 |
Ethyl 3-Chlorobenzoate 94.0+%, TCI America™
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CAS: 1128-76-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00013634 InChI Key: LVFRSNCBCHABAM-UHFFFAOYSA-N Synonym: benzoic acid, 3-chloro-, ethyl ester,3-chlorobenzoic acid ethyl ester,ethyl m-chlorobenzoate,benzoic acid, m-chloro-, ethyl ester,3-chloro-benzoic acid ethyl ester,pubchem3704,acmc-1bt4u,ethyl3-chlorobenzoate,ksc495m6f,rarechem al bi 0056 PubChem CID: 70785 IUPAC Name: ethyl 3-chlorobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Cl
| PubChem CID | 70785 |
|---|---|
| CAS | 1128-76-3 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD00013634 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)Cl |
| Synonym | benzoic acid, 3-chloro-, ethyl ester,3-chlorobenzoic acid ethyl ester,ethyl m-chlorobenzoate,benzoic acid, m-chloro-, ethyl ester,3-chloro-benzoic acid ethyl ester,pubchem3704,acmc-1bt4u,ethyl3-chlorobenzoate,ksc495m6f,rarechem al bi 0056 |
| IUPAC Name | ethyl 3-chlorobenzoate |
| InChI Key | LVFRSNCBCHABAM-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
Tiron Monohydrate 98.0+%, TCI America™
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CAS: 149-45-1 Molecular Formula: C6H10Na2O8S2 Molecular Weight (g/mol): 320.238 MDL Number: MFCD00007473 InChI Key: HEOKHLCODUWALT-UHFFFAOYSA-N Synonym: tiron,tiferron,sodium catechol sulfate,disodium 4,5-dihydroxybenzene-1,3-disulfonate,3,5-disulfocatechol disodium salt,sodium pyrocatechol-3,5-disulfonate,disodium pyrocatechol-3,5-disulfonate,sodium 1,2-dihydroxybenzenedisulfonate,1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt,1,3-benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt PubChem CID: 131674010 IUPAC Name: 4,5-dihydroxybenzene-1,3-disulfonic acid;molecular hydrogen;sodium SMILES: [HH].[HH].C1=C(C=C(C(=C1S(=O)(=O)O)O)O)S(=O)(=O)O.[Na].[Na]
| PubChem CID | 131674010 |
|---|---|
| CAS | 149-45-1 |
| Molecular Weight (g/mol) | 320.238 |
| MDL Number | MFCD00007473 |
| SMILES | [HH].[HH].C1=C(C=C(C(=C1S(=O)(=O)O)O)O)S(=O)(=O)O.[Na].[Na] |
| Synonym | tiron,tiferron,sodium catechol sulfate,disodium 4,5-dihydroxybenzene-1,3-disulfonate,3,5-disulfocatechol disodium salt,sodium pyrocatechol-3,5-disulfonate,disodium pyrocatechol-3,5-disulfonate,sodium 1,2-dihydroxybenzenedisulfonate,1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt,1,3-benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt |
| IUPAC Name | 4,5-dihydroxybenzene-1,3-disulfonic acid;molecular hydrogen;sodium |
| InChI Key | HEOKHLCODUWALT-UHFFFAOYSA-N |
| Molecular Formula | C6H10Na2O8S2 |
Methyl 2-Amino-4-(trifluoromethyl)benzoate 98.0+%, TCI America™
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CAS: 61500-87-6 Molecular Formula: C9H8F3NO2 Molecular Weight (g/mol): 219.163 MDL Number: MFCD08543939 InChI Key: DZICUHOFOOPVFM-UHFFFAOYSA-N Synonym: 2-Amino-4-(trifluoromethyl)benzoic Acid Methyl Ester PubChem CID: 12601886 IUPAC Name: methyl 2-amino-4-(trifluoromethyl)benzoate SMILES: COC(=O)C1=C(C=C(C=C1)C(F)(F)F)N
| PubChem CID | 12601886 |
|---|---|
| CAS | 61500-87-6 |
| Molecular Weight (g/mol) | 219.163 |
| MDL Number | MFCD08543939 |
| SMILES | COC(=O)C1=C(C=C(C=C1)C(F)(F)F)N |
| Synonym | 2-Amino-4-(trifluoromethyl)benzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-amino-4-(trifluoromethyl)benzoate |
| InChI Key | DZICUHOFOOPVFM-UHFFFAOYSA-N |
| Molecular Formula | C9H8F3NO2 |
4-Methoxy-2-nitrophenol 98.0+%, TCI America™
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CAS: 1568-70-3 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.136 MDL Number: MFCD00024247 InChI Key: YBUGOACXDPDUIR-UHFFFAOYSA-N Synonym: phenol, 4-methoxy-2-nitro,2-nitro-4-methoxyphenol,4-hydroxy-3-nitroanisole,4-methoxy-2-nitro-phenol,zlchem 182,pubchem16829,acmc-1c0rf,ksc494i1t,4-methoxy-2-nitrophenol PubChem CID: 15285 IUPAC Name: 4-methoxy-2-nitrophenol SMILES: COC1=CC(=C(C=C1)O)[N+](=O)[O-]
| PubChem CID | 15285 |
|---|---|
| CAS | 1568-70-3 |
| Molecular Weight (g/mol) | 169.136 |
| MDL Number | MFCD00024247 |
| SMILES | COC1=CC(=C(C=C1)O)[N+](=O)[O-] |
| Synonym | phenol, 4-methoxy-2-nitro,2-nitro-4-methoxyphenol,4-hydroxy-3-nitroanisole,4-methoxy-2-nitro-phenol,zlchem 182,pubchem16829,acmc-1c0rf,ksc494i1t,4-methoxy-2-nitrophenol |
| IUPAC Name | 4-methoxy-2-nitrophenol |
| InChI Key | YBUGOACXDPDUIR-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO4 |
4-Vinylbenzoic Acid (stabilized with BHT) 97.0+%, TCI America™
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CAS: 1075-49-6 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00002569 InChI Key: IRQWEODKXLDORP-UHFFFAOYSA-N Synonym: 4-vinylbenzoic acid,p-vinylbenzoic acid,4-carboxystyrene,benzoic acid, 4-ethenyl,styrene-4-carboxylic acid,4-vinyl-benzoic acid,p-vinyl benzoic acid,4-vinyl benzoic acid,para-vinyl benzoic acid,pubchem12624 PubChem CID: 14098 IUPAC Name: 4-ethenylbenzoic acid SMILES: C=CC1=CC=C(C=C1)C(=O)O
| PubChem CID | 14098 |
|---|---|
| CAS | 1075-49-6 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00002569 |
| SMILES | C=CC1=CC=C(C=C1)C(=O)O |
| Synonym | 4-vinylbenzoic acid,p-vinylbenzoic acid,4-carboxystyrene,benzoic acid, 4-ethenyl,styrene-4-carboxylic acid,4-vinyl-benzoic acid,p-vinyl benzoic acid,4-vinyl benzoic acid,para-vinyl benzoic acid,pubchem12624 |
| IUPAC Name | 4-ethenylbenzoic acid |
| InChI Key | IRQWEODKXLDORP-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
1-Bromo-2,3,4-trifluorobenzene 98.0+%, TCI America™
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CAS: 176317-02-5 Molecular Formula: C6H2BrF3 Molecular Weight (g/mol): 210.981 MDL Number: MFCD00013248 InChI Key: MUUAQFJJUGVBGB-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobromobenzene,2,3,4-trifluoro bromobenzene,benzene, 1-bromo-2,3,4-trifluoro,1-bromo-2,3,4-trifluoro-benzene,trifluorobromobenzene,pubchem7089,trifluorophenyl bromide,fr bf cf de,acmc-209eb9,ksc497i1f PubChem CID: 2733255 IUPAC Name: 1-bromo-2,3,4-trifluorobenzene SMILES: C1=CC(=C(C(=C1F)F)F)Br
| PubChem CID | 2733255 |
|---|---|
| CAS | 176317-02-5 |
| Molecular Weight (g/mol) | 210.981 |
| MDL Number | MFCD00013248 |
| SMILES | C1=CC(=C(C(=C1F)F)F)Br |
| Synonym | 2,3,4-trifluorobromobenzene,2,3,4-trifluoro bromobenzene,benzene, 1-bromo-2,3,4-trifluoro,1-bromo-2,3,4-trifluoro-benzene,trifluorobromobenzene,pubchem7089,trifluorophenyl bromide,fr bf cf de,acmc-209eb9,ksc497i1f |
| IUPAC Name | 1-bromo-2,3,4-trifluorobenzene |
| InChI Key | MUUAQFJJUGVBGB-UHFFFAOYSA-N |
| Molecular Formula | C6H2BrF3 |
4-(Dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide 97.0+%, TCI America™
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CAS: 251456-60-7 Molecular Formula: C16H25N3O3 Molecular Weight (g/mol): 307.394 MDL Number: MFCD03453554 InChI Key: MXWDSZWTBOCWBK-UHFFFAOYSA-N Synonym: 4-dimethylamino-n-7-hydroxyamino-7-oxoheptyl benzamide,histone deacetylase inhibitor iii,n-hydroxy-7-4-dimethylaminobenzoyl aminoheptanamide,4-dimethylamino-n-7-hydroxyamino-7-oxoheptyl-benzamide,4-dimethylamino-n-6-hydroxycarbamoylhexyl benzamide,n-hydroxy-7-4-dimethylaminobenzoyl-aminoheptanamide,4-dimethylamino-n-6-hydroxycarbamoylhexyl-benzamide,benzamide, 4-dimethylamino-n-7-hydroxyamino-7-oxoheptyl,7-4-dimethylamino phenyl formamido-n-hydroxyheptanamide PubChem CID: 3994 IUPAC Name: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide SMILES: CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO
| PubChem CID | 3994 |
|---|---|
| CAS | 251456-60-7 |
| Molecular Weight (g/mol) | 307.394 |
| MDL Number | MFCD03453554 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO |
| Synonym | 4-dimethylamino-n-7-hydroxyamino-7-oxoheptyl benzamide,histone deacetylase inhibitor iii,n-hydroxy-7-4-dimethylaminobenzoyl aminoheptanamide,4-dimethylamino-n-7-hydroxyamino-7-oxoheptyl-benzamide,4-dimethylamino-n-6-hydroxycarbamoylhexyl benzamide,n-hydroxy-7-4-dimethylaminobenzoyl-aminoheptanamide,4-dimethylamino-n-6-hydroxycarbamoylhexyl-benzamide,benzamide, 4-dimethylamino-n-7-hydroxyamino-7-oxoheptyl,7-4-dimethylamino phenyl formamido-n-hydroxyheptanamide |
| IUPAC Name | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide |
| InChI Key | MXWDSZWTBOCWBK-UHFFFAOYSA-N |
| Molecular Formula | C16H25N3O3 |
1-Benzyl-3-(ethylamino)pyrrolidine 96.0+%, TCI America™
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CAS: 115445-21-1 Molecular Formula: C13H20N2 Molecular Weight (g/mol): 204.317 MDL Number: MFCD00191305 InChI Key: ZSIUSRJKSLXIJH-UHFFFAOYSA-N PubChem CID: 10330560 IUPAC Name: 1-benzyl-N-ethylpyrrolidin-3-amine SMILES: CCNC1CCN(C1)CC2=CC=CC=C2
| PubChem CID | 10330560 |
|---|---|
| CAS | 115445-21-1 |
| Molecular Weight (g/mol) | 204.317 |
| MDL Number | MFCD00191305 |
| SMILES | CCNC1CCN(C1)CC2=CC=CC=C2 |
| IUPAC Name | 1-benzyl-N-ethylpyrrolidin-3-amine |
| InChI Key | ZSIUSRJKSLXIJH-UHFFFAOYSA-N |
| Molecular Formula | C13H20N2 |