Benzene and substituted derivatives
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2,4,6-Tris(dimethylaminomethyl)phenol 80.0+%, TCI America™
CAS: 90-72-2 Molecular Formula: C15H27N3O Molecular Weight (g/mol): 265.401 MDL Number: MFCD00008330 InChI Key: AHDSRXYHVZECER-UHFFFAOYSA-N Synonym: 2,4,6-tris dimethylaminomethyl phenol,sumicure d,2,4,6-tris dimethylamino methyl phenol,dmf 3,actiron nx 3,ancamine k 54,capcure eh 30,epilink 230,araldite dy 061 PubChem CID: 7026 IUPAC Name: 2,4,6-tris[(dimethylamino)methyl]phenol SMILES: CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C
| PubChem CID | 7026 |
|---|---|
| CAS | 90-72-2 |
| Molecular Weight (g/mol) | 265.401 |
| MDL Number | MFCD00008330 |
| SMILES | CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C |
| Synonym | 2,4,6-tris dimethylaminomethyl phenol,sumicure d,2,4,6-tris dimethylamino methyl phenol,dmf 3,actiron nx 3,ancamine k 54,capcure eh 30,epilink 230,araldite dy 061 |
| IUPAC Name | 2,4,6-tris[(dimethylamino)methyl]phenol |
| InChI Key | AHDSRXYHVZECER-UHFFFAOYSA-N |
| Molecular Formula | C15H27N3O |
3-Chloro-4-methoxybenzylamine Hydrochloride 97.0+%, TCI America™
CAS: 41965-95-1 Molecular Formula: C8H11Cl2NO Molecular Weight (g/mol): 208.082 MDL Number: MFCD01211460 InChI Key: IKWWOZCEHOYKAO-UHFFFAOYSA-N Synonym: 3-chloro-4-methoxybenzylamine hydrochloride,3-chloro-4-methoxyphenyl methanamine hydrochloride,3-chloro-4-methoxybenzylamine hcl,4-aminomethyl-2-chloroanisole hcl,4-aminomethyl-2-chloroanisole hydrochloride,1-3-chloro-4-methoxyphenyl methanamine hydrochloride,acmc-1ambw,3-chloro-4-methoxybenzylamine.hcl,benzenemethanamine, 3-chloro-4-methoxy-, hydrochloride 1:1,chloromethoxybenzylaminehydrochloride PubChem CID: 2764287 IUPAC Name: (3-chloro-4-methoxyphenyl)methanamine;hydrochloride SMILES: COC1=C(C=C(C=C1)CN)Cl.Cl
| PubChem CID | 2764287 |
|---|---|
| CAS | 41965-95-1 |
| Molecular Weight (g/mol) | 208.082 |
| MDL Number | MFCD01211460 |
| SMILES | COC1=C(C=C(C=C1)CN)Cl.Cl |
| Synonym | 3-chloro-4-methoxybenzylamine hydrochloride,3-chloro-4-methoxyphenyl methanamine hydrochloride,3-chloro-4-methoxybenzylamine hcl,4-aminomethyl-2-chloroanisole hcl,4-aminomethyl-2-chloroanisole hydrochloride,1-3-chloro-4-methoxyphenyl methanamine hydrochloride,acmc-1ambw,3-chloro-4-methoxybenzylamine.hcl,benzenemethanamine, 3-chloro-4-methoxy-, hydrochloride 1:1,chloromethoxybenzylaminehydrochloride |
| IUPAC Name | (3-chloro-4-methoxyphenyl)methanamine;hydrochloride |
| InChI Key | IKWWOZCEHOYKAO-UHFFFAOYSA-N |
| Molecular Formula | C8H11Cl2NO |
1-Benzyl-3-(ethylamino)pyrrolidine 96.0+%, TCI America™
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 |
(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine 98.0+%, TCI America™
CAS: 169749-99-9 Molecular Formula: C12H18N2 Molecular Weight (g/mol): 190.29 MDL Number: MFCD00191310 InChI Key: UEAYAIWNQQWSBK-LBPRGKRZSA-N PubChem CID: 10397666 IUPAC Name: (3S)-1-benzyl-N-methylpyrrolidin-3-amine SMILES: CNC1CCN(C1)CC2=CC=CC=C2
| PubChem CID | 10397666 |
|---|---|
| CAS | 169749-99-9 |
| Molecular Weight (g/mol) | 190.29 |
| MDL Number | MFCD00191310 |
| SMILES | CNC1CCN(C1)CC2=CC=CC=C2 |
| IUPAC Name | (3S)-1-benzyl-N-methylpyrrolidin-3-amine |
| InChI Key | UEAYAIWNQQWSBK-LBPRGKRZSA-N |
| Molecular Formula | C12H18N2 |
2-Aminobenzylamine 98.0+%, TCI America™
CAS: 4403-69-4 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.171 MDL Number: MFCD00075408 InChI Key: GVOYKJPMUUJXBS-UHFFFAOYSA-N Synonym: 2-(Aminomethyl)aniline, alpha-Amino-o-toluidine PubChem CID: 178096 IUPAC Name: 2-(aminomethyl)aniline SMILES: C1=CC=C(C(=C1)CN)N
| PubChem CID | 178096 |
|---|---|
| CAS | 4403-69-4 |
| Molecular Weight (g/mol) | 122.171 |
| MDL Number | MFCD00075408 |
| SMILES | C1=CC=C(C(=C1)CN)N |
| Synonym | 2-(Aminomethyl)aniline, alpha-Amino-o-toluidine |
| IUPAC Name | 2-(aminomethyl)aniline |
| InChI Key | GVOYKJPMUUJXBS-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2 |
Methyl p-Anisate 99.0+%, TCI America™
CAS: 121-98-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00008437 InChI Key: DDIZAANNODHTRB-UHFFFAOYSA-N Synonym: methyl anisate,methyl p-anisate,methyl p-methoxybenzoate,4-methoxybenzoic acid methyl ester,p-anisic acid, methyl ester,benzoic acid, 4-methoxy-, methyl ester,methyl 4-anisate,p-methoxybenzoic acid methyl ester,p-anisic acid methyl ester,benzoic acid, p-methoxy-, methyl ester PubChem CID: 8499 ChEBI: CHEBI:86903 IUPAC Name: methyl 4-methoxybenzoate SMILES: COC1=CC=C(C=C1)C(=O)OC
| PubChem CID | 8499 |
|---|---|
| CAS | 121-98-2 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:86903 |
| MDL Number | MFCD00008437 |
| SMILES | COC1=CC=C(C=C1)C(=O)OC |
| Synonym | methyl anisate,methyl p-anisate,methyl p-methoxybenzoate,4-methoxybenzoic acid methyl ester,p-anisic acid, methyl ester,benzoic acid, 4-methoxy-, methyl ester,methyl 4-anisate,p-methoxybenzoic acid methyl ester,p-anisic acid methyl ester,benzoic acid, p-methoxy-, methyl ester |
| IUPAC Name | methyl 4-methoxybenzoate |
| InChI Key | DDIZAANNODHTRB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Methyl 4-Methoxy-2-methylbenzoate 98.0+%, TCI America™
CAS: 35598-05-1 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD06203918 InChI Key: OGYAVWKYDVBIMW-UHFFFAOYSA-N Synonym: 4-Methoxy-2-methylbenzoic Acid Methyl Ester, Methyl 4-Methoxy-o-toluate, 4-Methoxy-o-toluic Acid Methyl Ester, Methyl 2-Methyl-p-anisate, 2-Methyl-p-anisic Acid Methyl Ester PubChem CID: 13257269 IUPAC Name: methyl 4-methoxy-2-methylbenzoate SMILES: COC(=O)C1=C(C)C=C(OC)C=C1
| PubChem CID | 13257269 |
|---|---|
| CAS | 35598-05-1 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD06203918 |
| SMILES | COC(=O)C1=C(C)C=C(OC)C=C1 |
| Synonym | 4-Methoxy-2-methylbenzoic Acid Methyl Ester, Methyl 4-Methoxy-o-toluate, 4-Methoxy-o-toluic Acid Methyl Ester, Methyl 2-Methyl-p-anisate, 2-Methyl-p-anisic Acid Methyl Ester |
| IUPAC Name | methyl 4-methoxy-2-methylbenzoate |
| InChI Key | OGYAVWKYDVBIMW-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
2-Chloro-4-methoxybenzoic Acid 98.0+%, TCI America™
CAS: 21971-21-1 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00085943 InChI Key: IBANGHTVBPZCHF-UHFFFAOYSA-N Synonym: 2-chloro-4-methoxy-benzoic acid,2-chloro-4-methyloxy benzoic acid,benzoic acid, 2-chloro-4-methoxy,2-chloro-4-methoxybenzoicacid,2-chloranissaure,pubchem14030,2-chloro-p-anisic acid,ksc494q0b,4-methoxy-2-chloro-benzoic acid PubChem CID: 12648026 IUPAC Name: 2-chloro-4-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)C(=O)O)Cl
| PubChem CID | 12648026 |
|---|---|
| CAS | 21971-21-1 |
| Molecular Weight (g/mol) | 186.591 |
| MDL Number | MFCD00085943 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)Cl |
| Synonym | 2-chloro-4-methoxy-benzoic acid,2-chloro-4-methyloxy benzoic acid,benzoic acid, 2-chloro-4-methoxy,2-chloro-4-methoxybenzoicacid,2-chloranissaure,pubchem14030,2-chloro-p-anisic acid,ksc494q0b,4-methoxy-2-chloro-benzoic acid |
| IUPAC Name | 2-chloro-4-methoxybenzoic acid |
| InChI Key | IBANGHTVBPZCHF-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3 |
2-Fluoro-4-methoxybenzoic Acid 98.0+%, TCI America™
CAS: 394-42-3 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00509373 InChI Key: UPWMPIKNUXTWFP-UHFFFAOYSA-N PubChem CID: 2774542 IUPAC Name: 2-fluoro-4-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)C(=O)O)F
| PubChem CID | 2774542 |
|---|---|
| CAS | 394-42-3 |
| Molecular Weight (g/mol) | 170.139 |
| MDL Number | MFCD00509373 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)F |
| IUPAC Name | 2-fluoro-4-methoxybenzoic acid |
| InChI Key | UPWMPIKNUXTWFP-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO3 |
2,3,6-Trimethoxybenzoic Acid 98.0+%, TCI America™
CAS: 60241-74-9 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00092587 InChI Key: NSKSXYUOXAQHCH-UHFFFAOYSA-N PubChem CID: 611400 IUPAC Name: 2,3,6-trimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)OC)OC)C(=O)O
| PubChem CID | 611400 |
|---|---|
| CAS | 60241-74-9 |
| Molecular Weight (g/mol) | 212.201 |
| MDL Number | MFCD00092587 |
| SMILES | COC1=C(C(=C(C=C1)OC)OC)C(=O)O |
| IUPAC Name | 2,3,6-trimethoxybenzoic acid |
| InChI Key | NSKSXYUOXAQHCH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O5 |
Methyl m-Anisate 98.0+%, TCI America™
CAS: 5368-81-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00017193 InChI Key: DUKYPQBGYRJVAN-UHFFFAOYSA-N Synonym: methyl m-anisate,methyl m-methoxybenzoate,3-methoxybenzoic acid methyl ester,m-anisic acid, methyl ester,benzoic acid, 3-methoxy-, methyl ester,3-methoxybenoic acid methyl ester,m-methoxybenzoic acid methyl ester,mehtyl 3-methoxybenzoate,acmc-1asq5,m-anisic acid methyl ester PubChem CID: 79332 IUPAC Name: methyl 3-methoxybenzoate SMILES: COC(=O)C1=CC=CC(OC)=C1
| PubChem CID | 79332 |
|---|---|
| CAS | 5368-81-0 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00017193 |
| SMILES | COC(=O)C1=CC=CC(OC)=C1 |
| Synonym | methyl m-anisate,methyl m-methoxybenzoate,3-methoxybenzoic acid methyl ester,m-anisic acid, methyl ester,benzoic acid, 3-methoxy-, methyl ester,3-methoxybenoic acid methyl ester,m-methoxybenzoic acid methyl ester,mehtyl 3-methoxybenzoate,acmc-1asq5,m-anisic acid methyl ester |
| IUPAC Name | methyl 3-methoxybenzoate |
| InChI Key | DUKYPQBGYRJVAN-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Ethyl p-Anisate 99.0+%, TCI America™
CAS: 94-30-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00015151 InChI Key: FHUODBDRWMIBQP-UHFFFAOYSA-N Synonym: ethyl p-anisate,ethyl anisate,ethyl p-methoxybenzoate,p-anisic acid, ethyl ester,benzoic acid, 4-methoxy-, ethyl ester,4-methoxybenzoic acid ethyl ester,benzoic acid, p-methoxy-, ethyl ester,ethyl p-anisoate,unii-kj95h2s7nm,p-anisic acid ethyl ester PubChem CID: 60979 IUPAC Name: ethyl 4-methoxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)OC
| PubChem CID | 60979 |
|---|---|
| CAS | 94-30-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00015151 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC |
| Synonym | ethyl p-anisate,ethyl anisate,ethyl p-methoxybenzoate,p-anisic acid, ethyl ester,benzoic acid, 4-methoxy-, ethyl ester,4-methoxybenzoic acid ethyl ester,benzoic acid, p-methoxy-, ethyl ester,ethyl p-anisoate,unii-kj95h2s7nm,p-anisic acid ethyl ester |
| IUPAC Name | ethyl 4-methoxybenzoate |
| InChI Key | FHUODBDRWMIBQP-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Methyl 2,4-Dimethoxybenzoate 98.0+%, TCI America™
CAS: 2150-41-6 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00070649 InChI Key: IHIJFZWLGPEYPJ-UHFFFAOYSA-N PubChem CID: 137451 IUPAC Name: methyl 2,4-dimethoxybenzoate SMILES: COC(=O)C1=CC=C(OC)C=C1OC
| PubChem CID | 137451 |
|---|---|
| CAS | 2150-41-6 |
| Molecular Weight (g/mol) | 196.20 |
| MDL Number | MFCD00070649 |
| SMILES | COC(=O)C1=CC=C(OC)C=C1OC |
| IUPAC Name | methyl 2,4-dimethoxybenzoate |
| InChI Key | IHIJFZWLGPEYPJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
Methyl 3,4-Dimethoxybenzoate 98.0+%, TCI America™
CAS: 2150-38-1 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008430 InChI Key: BIGQPYZPEWAPBG-UHFFFAOYSA-N Synonym: methyl veratrate,benzoic acid, 3,4-dimethoxy-, methyl ester,3,4-dimethoxybenzoic acid methyl ester,veratric acid, methyl ester,methylveratrate,pubchem13009,acmc-1cfay,veratric acid methyl ester,methyl 3,4 dimethoxybenzoate,methyl 3, 4-dimethoxybenzoate PubChem CID: 16522 ChEBI: CHEBI:86906 IUPAC Name: methyl 3,4-dimethoxybenzoate SMILES: COC(=O)C1=CC=C(OC)C(OC)=C1
| PubChem CID | 16522 |
|---|---|
| CAS | 2150-38-1 |
| Molecular Weight (g/mol) | 196.20 |
| ChEBI | CHEBI:86906 |
| MDL Number | MFCD00008430 |
| SMILES | COC(=O)C1=CC=C(OC)C(OC)=C1 |
| Synonym | methyl veratrate,benzoic acid, 3,4-dimethoxy-, methyl ester,3,4-dimethoxybenzoic acid methyl ester,veratric acid, methyl ester,methylveratrate,pubchem13009,acmc-1cfay,veratric acid methyl ester,methyl 3,4 dimethoxybenzoate,methyl 3, 4-dimethoxybenzoate |
| IUPAC Name | methyl 3,4-dimethoxybenzoate |
| InChI Key | BIGQPYZPEWAPBG-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
m-Anisic Acid 98.0+%, TCI America™
CAS: 586-38-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002499 InChI Key: XHQZJYCNDZAGLW-UHFFFAOYSA-N Synonym: m-anisic acid,m-methoxybenzoic acid,benzoic acid, 3-methoxy,3-anisic acid,meta-anisic acid,3-methoxy-benzoic acid,unii-e2i36fh6qz,m-methylsalicylic acid,e2i36fh6qz,chembl22425 PubChem CID: 11461 IUPAC Name: 3-methoxybenzoic acid SMILES: COC1=CC=CC(=C1)C(=O)O
| PubChem CID | 11461 |
|---|---|
| CAS | 586-38-9 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00002499 |
| SMILES | COC1=CC=CC(=C1)C(=O)O |
| Synonym | m-anisic acid,m-methoxybenzoic acid,benzoic acid, 3-methoxy,3-anisic acid,meta-anisic acid,3-methoxy-benzoic acid,unii-e2i36fh6qz,m-methylsalicylic acid,e2i36fh6qz,chembl22425 |
| IUPAC Name | 3-methoxybenzoic acid |
| InChI Key | XHQZJYCNDZAGLW-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |