Benzenoids
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Sodium 2,4-Dinitrobenzenesulfonate Hydrate 98.0+%, TCI America™
CAS: 885-62-1 Molecular Formula: C6H3N2NaO7S Molecular Weight (g/mol): 270.15 MDL Number: MFCD00007471,MFCD10567393 InChI Key: GSBYVRKLPCSLNV-UHFFFAOYSA-M Synonym: sodium 2,4-dinitrobenzenesulfonate hydrate,acmc-209quh,sodium dnbs hydrate,2,4-dinitrobenzenesulfonic acid sodium salt hydrate PubChem CID: 70700115 IUPAC Name: sodium 2,4-dinitrobenzene-1-sulfonate SMILES: [Na+].[O-][N+](=O)C1=CC=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O
| PubChem CID | 70700115 |
|---|---|
| CAS | 885-62-1 |
| Molecular Weight (g/mol) | 270.15 |
| MDL Number | MFCD00007471,MFCD10567393 |
| SMILES | [Na+].[O-][N+](=O)C1=CC=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O |
| Synonym | sodium 2,4-dinitrobenzenesulfonate hydrate,acmc-209quh,sodium dnbs hydrate,2,4-dinitrobenzenesulfonic acid sodium salt hydrate |
| IUPAC Name | sodium 2,4-dinitrobenzene-1-sulfonate |
| InChI Key | GSBYVRKLPCSLNV-UHFFFAOYSA-M |
| Molecular Formula | C6H3N2NaO7S |
Tetraethylammonium p-Toluenesulfonate 98.0+%, TCI America™
CAS: 733-44-8 Molecular Formula: C15H27NO3S Molecular Weight (g/mol): 301.445 MDL Number: MFCD00011831 InChI Key: QKFFSWPNFCXGIQ-UHFFFAOYSA-M Synonym: tetraethylammonium p-toluenesulfonate,tetraethylammonium tosylate,ethanaminium, n,n,n-triethyl-, salt with 4-methylbenzenesulfonic acid 1:1,tetraethylammonium 4-methylbenzenesulfonate,ethanaminium, n,n,n-triethyl-, 4-methylbenzenesulfonate 1:1,4-methylbenzenesulfonate; tetraethylazanium,et4nots,tetraethylammonium p-toluenesulphonate,acmc-209oql,n,n,n-triethylethanaminium-4-methylbenzolsulfonat PubChem CID: 101846 IUPAC Name: 4-methylbenzenesulfonate;tetraethylazanium SMILES: CC[N+](CC)(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]
| PubChem CID | 101846 |
|---|---|
| CAS | 733-44-8 |
| Molecular Weight (g/mol) | 301.445 |
| MDL Number | MFCD00011831 |
| SMILES | CC[N+](CC)(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| Synonym | tetraethylammonium p-toluenesulfonate,tetraethylammonium tosylate,ethanaminium, n,n,n-triethyl-, salt with 4-methylbenzenesulfonic acid 1:1,tetraethylammonium 4-methylbenzenesulfonate,ethanaminium, n,n,n-triethyl-, 4-methylbenzenesulfonate 1:1,4-methylbenzenesulfonate; tetraethylazanium,et4nots,tetraethylammonium p-toluenesulphonate,acmc-209oql,n,n,n-triethylethanaminium-4-methylbenzolsulfonat |
| IUPAC Name | 4-methylbenzenesulfonate;tetraethylazanium |
| InChI Key | QKFFSWPNFCXGIQ-UHFFFAOYSA-M |
| Molecular Formula | C15H27NO3S |
4-Fluorobenzylamine 98.0+%, TCI America™
CAS: 140-75-0 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.146 MDL Number: MFCD00008120 InChI Key: IIFVWLUQBAIPMJ-UHFFFAOYSA-N Synonym: 4-fluorobenzylamine,4-fluorophenyl methanamine,benzenemethanamine, 4-fluoro,p-fluorobenzylamine,benzylamine, p-fluoro,p-fluorobenzyl amine,4-fluoro-benzylamine,1-4-fluorophenyl methanamine,4-fluorobenzyl amine,chembl12392 PubChem CID: 67326 IUPAC Name: (4-fluorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)F
| PubChem CID | 67326 |
|---|---|
| CAS | 140-75-0 |
| Molecular Weight (g/mol) | 125.146 |
| MDL Number | MFCD00008120 |
| SMILES | C1=CC(=CC=C1CN)F |
| Synonym | 4-fluorobenzylamine,4-fluorophenyl methanamine,benzenemethanamine, 4-fluoro,p-fluorobenzylamine,benzylamine, p-fluoro,p-fluorobenzyl amine,4-fluoro-benzylamine,1-4-fluorophenyl methanamine,4-fluorobenzyl amine,chembl12392 |
| IUPAC Name | (4-fluorophenyl)methanamine |
| InChI Key | IIFVWLUQBAIPMJ-UHFFFAOYSA-N |
| Molecular Formula | C7H8FN |
1,3-Bis(4-fluorophenyl)urea 98.0+%, TCI America™
CAS: 370-22-9 Molecular Formula: C13H10F2N2O Molecular Weight (g/mol): 248.23 MDL Number: MFCD00017925 InChI Key: VEURDHASKSZBOL-UHFFFAOYSA-N Synonym: 1,3-bis 4-fluorophenyl urea,1,3-di 4-fluorophenyl urea,n,n'-bis 4-fluorophenyl urea,n,n'-bis 4-fluorophenyl urea #,urea, n,n'-bis 4-fluorophenyl,n-4-fluorophenyl 4-fluorophenyl amino carboxamide PubChem CID: 302982 IUPAC Name: 1,3-bis(4-fluorophenyl)urea SMILES: FC1=CC=C(NC(=O)NC2=CC=C(F)C=C2)C=C1
| PubChem CID | 302982 |
|---|---|
| CAS | 370-22-9 |
| Molecular Weight (g/mol) | 248.23 |
| MDL Number | MFCD00017925 |
| SMILES | FC1=CC=C(NC(=O)NC2=CC=C(F)C=C2)C=C1 |
| Synonym | 1,3-bis 4-fluorophenyl urea,1,3-di 4-fluorophenyl urea,n,n'-bis 4-fluorophenyl urea,n,n'-bis 4-fluorophenyl urea #,urea, n,n'-bis 4-fluorophenyl,n-4-fluorophenyl 4-fluorophenyl amino carboxamide |
| IUPAC Name | 1,3-bis(4-fluorophenyl)urea |
| InChI Key | VEURDHASKSZBOL-UHFFFAOYSA-N |
| Molecular Formula | C13H10F2N2O |
Isoproturon 98.0+%, TCI America™
CAS: 34123-59-6 Molecular Formula: C12H18N2O Molecular Weight (g/mol): 206.289 MDL Number: MFCD00078684 InChI Key: PUIYMUZLKQOUOZ-UHFFFAOYSA-N Synonym: isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo PubChem CID: 36679 ChEBI: CHEBI:6049 IUPAC Name: 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea SMILES: CC(C)C1=CC=C(C=C1)NC(=O)N(C)C
| PubChem CID | 36679 |
|---|---|
| CAS | 34123-59-6 |
| Molecular Weight (g/mol) | 206.289 |
| ChEBI | CHEBI:6049 |
| MDL Number | MFCD00078684 |
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)N(C)C |
| Synonym | isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo |
| IUPAC Name | 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea |
| InChI Key | PUIYMUZLKQOUOZ-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2O |
2-Hydroxy-N-methylbenzylamine Hydrochloride 98.0+%, TCI America™
CAS: 60399-02-2 Molecular Formula: C8H12ClNO Molecular Weight (g/mol): 173.64 MDL Number: MFCD00142934 InChI Key: UDXXNWDSBJINMV-UHFFFAOYSA-N Synonym: alpha-Methylamino-o-cresol Hydrochloride, 2-(Methylaminomethyl)phenol Hydrochloride, N-Methyl-2-hydroxybenzylamine Hydrochloride PubChem CID: 44630388 IUPAC Name: 2-(methylaminomethyl)phenol;hydrochloride SMILES: CNCC1=CC=CC=C1O.Cl
| PubChem CID | 44630388 |
|---|---|
| CAS | 60399-02-2 |
| Molecular Weight (g/mol) | 173.64 |
| MDL Number | MFCD00142934 |
| SMILES | CNCC1=CC=CC=C1O.Cl |
| Synonym | alpha-Methylamino-o-cresol Hydrochloride, 2-(Methylaminomethyl)phenol Hydrochloride, N-Methyl-2-hydroxybenzylamine Hydrochloride |
| IUPAC Name | 2-(methylaminomethyl)phenol;hydrochloride |
| InChI Key | UDXXNWDSBJINMV-UHFFFAOYSA-N |
| Molecular Formula | C8H12ClNO |
3-Methoxybenzylamine 98.0+%, TCI America™
CAS: 5071-96-5 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00008115 InChI Key: GRRIMVWABNHKBX-UHFFFAOYSA-N Synonym: 3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4 PubChem CID: 21156 IUPAC Name: 1-(3-methoxyphenyl)methanamine SMILES: COC1=CC=CC(CN)=C1
| PubChem CID | 21156 |
|---|---|
| CAS | 5071-96-5 |
| Molecular Weight (g/mol) | 137.18 |
| MDL Number | MFCD00008115 |
| SMILES | COC1=CC=CC(CN)=C1 |
| Synonym | 3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4 |
| IUPAC Name | 1-(3-methoxyphenyl)methanamine |
| InChI Key | GRRIMVWABNHKBX-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
Methyl 4-(Aminomethyl)benzoate Hydrochloride 98.0+%, TCI America™
CAS: 6232-11-7 Molecular Formula: C9H12ClNO2 Molecular Weight (g/mol): 201.65 MDL Number: MFCD00182671 InChI Key: GIZCKBSSWNIUMZ-UHFFFAOYSA-N Synonym: methyl 4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hydrochloride,methyl-4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hcl,methyl 4-aminomethyl benzoate, hcl,4-aminomethyl benzoic acid methyl ester hydrochloride,methyl4-aminomethyl benzoatehydrochloride,methyl 4-aminomethyl-benzoate hydrochloride,4-aminomethyl benzoic acid methyl ester hcl,4-aminomethylbenzoic acid methyl ester hydrochloride PubChem CID: 2729253 IUPAC Name: methyl 4-(aminomethyl)benzoate;hydrochloride SMILES: COC(=O)C1=CC=C(C=C1)CN.Cl
| PubChem CID | 2729253 |
|---|---|
| CAS | 6232-11-7 |
| Molecular Weight (g/mol) | 201.65 |
| MDL Number | MFCD00182671 |
| SMILES | COC(=O)C1=CC=C(C=C1)CN.Cl |
| Synonym | methyl 4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hydrochloride,methyl-4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hcl,methyl 4-aminomethyl benzoate, hcl,4-aminomethyl benzoic acid methyl ester hydrochloride,methyl4-aminomethyl benzoatehydrochloride,methyl 4-aminomethyl-benzoate hydrochloride,4-aminomethyl benzoic acid methyl ester hcl,4-aminomethylbenzoic acid methyl ester hydrochloride |
| IUPAC Name | methyl 4-(aminomethyl)benzoate;hydrochloride |
| InChI Key | GIZCKBSSWNIUMZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12ClNO2 |
2,2,4,4,6,8,8-Heptamethylnonane 97.0+%, TCI America™
CAS: 4390-04-9 Molecular Formula: C16H34 Molecular Weight (g/mol): 226.45 MDL Number: MFCD00008856 InChI Key: VCLJODPNBNEBKW-UHFFFAOYNA-N Synonym: isocetane,nonane, 2,2,4,4,6,8,8-heptamethyl,cyprane,pubchem16042,acmc-2097fb,dsstox_cid_30668,dsstox_gsid_52101,ksc492g9j,2,4,4,6,8,8-heptamethylnonane,nonane,2,4,4,6,8,8-heptamethyl PubChem CID: 20414 IUPAC Name: 2,2,4,4,6,8,8-heptamethylnonane SMILES: CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
| PubChem CID | 20414 |
|---|---|
| CAS | 4390-04-9 |
| Molecular Weight (g/mol) | 226.45 |
| MDL Number | MFCD00008856 |
| SMILES | CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C |
| Synonym | isocetane,nonane, 2,2,4,4,6,8,8-heptamethyl,cyprane,pubchem16042,acmc-2097fb,dsstox_cid_30668,dsstox_gsid_52101,ksc492g9j,2,4,4,6,8,8-heptamethylnonane,nonane,2,4,4,6,8,8-heptamethyl |
| IUPAC Name | 2,2,4,4,6,8,8-heptamethylnonane |
| InChI Key | VCLJODPNBNEBKW-UHFFFAOYNA-N |
| Molecular Formula | C16H34 |
(3S)-(+)-1-Benzyl-3-(ethylamino)pyrrolidine 95.0+%, TCI America™
CAS: 169750-99-6 Molecular Formula: C13H20N2 Molecular Weight (g/mol): 204.32 MDL Number: MFCD00191307 InChI Key: ZSIUSRJKSLXIJH-UHFFFAOYNA-N PubChem CID: 12362914 IUPAC Name: 1-benzyl-N-ethylpyrrolidin-3-amine SMILES: CCNC1CCN(CC2=CC=CC=C2)C1
| PubChem CID | 12362914 |
|---|---|
| CAS | 169750-99-6 |
| Molecular Weight (g/mol) | 204.32 |
| MDL Number | MFCD00191307 |
| SMILES | CCNC1CCN(CC2=CC=CC=C2)C1 |
| IUPAC Name | 1-benzyl-N-ethylpyrrolidin-3-amine |
| InChI Key | ZSIUSRJKSLXIJH-UHFFFAOYNA-N |
| Molecular Formula | C13H20N2 |
3,4,5-Trimethoxybenzylamine 97.0+%, TCI America™
CAS: 18638-99-8 Molecular Formula: C10H15NO3 Molecular Weight (g/mol): 197.234 MDL Number: MFCD00017150 InChI Key: YUPUSBMJCFBHAP-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzylamine,3,4,5-trimethoxyphenyl methanamine,1-3,4,5-trimethoxyphenyl methanamine,benzenemethanamine, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methylamine,1-3,4,5-trimethoxyphenyl methanamine hydrochloride,pubchem16674,acmc-1c5ez,ksc495e6b,3,4,5-trimethoxy benzylamine PubChem CID: 87736 IUPAC Name: (3,4,5-trimethoxyphenyl)methanamine SMILES: COC1=CC(=CC(=C1OC)OC)CN
| PubChem CID | 87736 |
|---|---|
| CAS | 18638-99-8 |
| Molecular Weight (g/mol) | 197.234 |
| MDL Number | MFCD00017150 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CN |
| Synonym | 3,4,5-trimethoxybenzylamine,3,4,5-trimethoxyphenyl methanamine,1-3,4,5-trimethoxyphenyl methanamine,benzenemethanamine, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methylamine,1-3,4,5-trimethoxyphenyl methanamine hydrochloride,pubchem16674,acmc-1c5ez,ksc495e6b,3,4,5-trimethoxy benzylamine |
| IUPAC Name | (3,4,5-trimethoxyphenyl)methanamine |
| InChI Key | YUPUSBMJCFBHAP-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO3 |
1-Benzyl-3-acetamidopyrrolidine 98.0+%, TCI America™
CAS: 28506-01-6 Molecular Formula: C13H18N2O Molecular Weight (g/mol): 218.3 MDL Number: MFCD00059037 InChI Key: CMSWETNAAPYFSH-UHFFFAOYSA-N Synonym: 3-Acetamido-1-benzylpyrrolidine PubChem CID: 4198339 IUPAC Name: N-(1-benzylpyrrolidin-3-yl)acetamide SMILES: CC(=O)NC1CCN(C1)CC2=CC=CC=C2
| PubChem CID | 4198339 |
|---|---|
| CAS | 28506-01-6 |
| Molecular Weight (g/mol) | 218.3 |
| MDL Number | MFCD00059037 |
| SMILES | CC(=O)NC1CCN(C1)CC2=CC=CC=C2 |
| Synonym | 3-Acetamido-1-benzylpyrrolidine |
| IUPAC Name | N-(1-benzylpyrrolidin-3-yl)acetamide |
| InChI Key | CMSWETNAAPYFSH-UHFFFAOYSA-N |
| Molecular Formula | C13H18N2O |
2-Ethoxybenzylamine 97.0+%, TCI America™
CAS: 37806-29-4 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00008111 InChI Key: LAUPTNYHVCVPFH-UHFFFAOYSA-N Synonym: (2-Ethoxyphenyl)methanamine PubChem CID: 123465 IUPAC Name: (2-ethoxyphenyl)methanamine SMILES: CCOC1=CC=CC=C1CN
| PubChem CID | 123465 |
|---|---|
| CAS | 37806-29-4 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00008111 |
| SMILES | CCOC1=CC=CC=C1CN |
| Synonym | (2-Ethoxyphenyl)methanamine |
| IUPAC Name | (2-ethoxyphenyl)methanamine |
| InChI Key | LAUPTNYHVCVPFH-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
(+)-Usnic Acid 98.0+%, TCI America™
CAS: 7562-61-0 Molecular Formula: C18H16O7 Molecular Weight (g/mol): 344.32 MDL Number: MFCD00016878,MFCD00065294 InChI Key: CUCUKLJLRRAKFN-KKIBXBACSA-N Synonym: +-usnic acid,d-usninic acid,r-usnic acid,r-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-9bh-dibenzofuran-1-one,+-usnic acid from usnea dasypoga,--usnic acid,9br-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo b,d furan-1 9bh-one,r-+-usnic acid,unii-0w584pfj77 component,9br-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-1-dibenzofuranone PubChem CID: 478125 ChEBI: CHEBI:38320 IUPAC Name: (2S)-4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),6,9,11-tetraene-3,5-dione SMILES: CC(=O)C1C(=O)C=C2OC3=C(C(C)=O)C(O)=C(C)C(O)=C3[C@]2(C)C1=O
| PubChem CID | 478125 |
|---|---|
| CAS | 7562-61-0 |
| Molecular Weight (g/mol) | 344.32 |
| ChEBI | CHEBI:38320 |
| MDL Number | MFCD00016878,MFCD00065294 |
| SMILES | CC(=O)C1C(=O)C=C2OC3=C(C(C)=O)C(O)=C(C)C(O)=C3[C@]2(C)C1=O |
| Synonym | +-usnic acid,d-usninic acid,r-usnic acid,r-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-9bh-dibenzofuran-1-one,+-usnic acid from usnea dasypoga,--usnic acid,9br-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo b,d furan-1 9bh-one,r-+-usnic acid,unii-0w584pfj77 component,9br-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-1-dibenzofuranone |
| IUPAC Name | (2S)-4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),6,9,11-tetraene-3,5-dione |
| InChI Key | CUCUKLJLRRAKFN-KKIBXBACSA-N |
| Molecular Formula | C18H16O7 |
2,4-Dimethoxybenzylamine 98.0+%, TCI America™
CAS: 20781-20-8 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00052393 InChI Key: QOWBXWFYRXSBAS-UHFFFAOYSA-N Synonym: 2,4-dimethoxybenzylamine,2,4-dimethoxyphenyl methanamine,2,4-dimethoxy benzylamine,1-2,4-dimethoxyphenyl methanamine,benzenemethanamine, 2,4-dimethoxy,2,4-dimethoxybenzyl amine,2,4-dimethoxyphenyl methylamine,2, 4-dimethoxybenzylamine,pubchem7398,2,4dimethoxybenzylamine PubChem CID: 597250 IUPAC Name: (2,4-dimethoxyphenyl)methanamine SMILES: COC1=CC(=C(C=C1)CN)OC
| PubChem CID | 597250 |
|---|---|
| CAS | 20781-20-8 |
| Molecular Weight (g/mol) | 167.208 |
| MDL Number | MFCD00052393 |
| SMILES | COC1=CC(=C(C=C1)CN)OC |
| Synonym | 2,4-dimethoxybenzylamine,2,4-dimethoxyphenyl methanamine,2,4-dimethoxy benzylamine,1-2,4-dimethoxyphenyl methanamine,benzenemethanamine, 2,4-dimethoxy,2,4-dimethoxybenzyl amine,2,4-dimethoxyphenyl methylamine,2, 4-dimethoxybenzylamine,pubchem7398,2,4dimethoxybenzylamine |
| IUPAC Name | (2,4-dimethoxyphenyl)methanamine |
| InChI Key | QOWBXWFYRXSBAS-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2 |