Benzene and substituted derivatives
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Benzylamine Hydroiodide (Low water content) 98.0+%, TCI America™
CAS: 45579-91-7 Molecular Formula: C7H10IN Molecular Weight (g/mol): 235.068 InChI Key: PPCHYMCMRUGLHR-UHFFFAOYSA-N Synonym: Benzylammonium Iodide PubChem CID: 67825834 IUPAC Name: phenylmethanamine;hydroiodide SMILES: C1=CC=C(C=C1)CN.I
| PubChem CID | 67825834 |
|---|---|
| CAS | 45579-91-7 |
| Molecular Weight (g/mol) | 235.068 |
| SMILES | C1=CC=C(C=C1)CN.I |
| Synonym | Benzylammonium Iodide |
| IUPAC Name | phenylmethanamine;hydroiodide |
| InChI Key | PPCHYMCMRUGLHR-UHFFFAOYSA-N |
| Molecular Formula | C7H10IN |
3-Fluoro-N-methylbenzylamine 97.0+%, TCI America™
CAS: 90389-84-7 Molecular Formula: C8H10FN Molecular Weight (g/mol): 139.17 MDL Number: MFCD04623547 InChI Key: ZXWCKKSSCIFVBT-UHFFFAOYSA-N Synonym: 3-fluorobenzyl methylamine,n-methyl-3-fluorobenzylamine,3-fluoro-n-methylbenzylamine,1-3-fluorophenyl-n-methylmethanamine,benzenemethanamine, 3-fluoro-n-methyl,3-fluorophenyl methyl methyl amine,1-3-fluorophenyl-n-methyl-methanamine,3-fluorophenyl-n-methylmethanamine,3-fluorobenzyl-methylamine,acmc-209r5x PubChem CID: 457577 IUPAC Name: [(3-fluorophenyl)methyl](methyl)amine SMILES: CNCC1=CC=CC(F)=C1
| PubChem CID | 457577 |
|---|---|
| CAS | 90389-84-7 |
| Molecular Weight (g/mol) | 139.17 |
| MDL Number | MFCD04623547 |
| SMILES | CNCC1=CC=CC(F)=C1 |
| Synonym | 3-fluorobenzyl methylamine,n-methyl-3-fluorobenzylamine,3-fluoro-n-methylbenzylamine,1-3-fluorophenyl-n-methylmethanamine,benzenemethanamine, 3-fluoro-n-methyl,3-fluorophenyl methyl methyl amine,1-3-fluorophenyl-n-methyl-methanamine,3-fluorophenyl-n-methylmethanamine,3-fluorobenzyl-methylamine,acmc-209r5x |
| IUPAC Name | [(3-fluorophenyl)methyl](methyl)amine |
| InChI Key | ZXWCKKSSCIFVBT-UHFFFAOYSA-N |
| Molecular Formula | C8H10FN |
Benzyltriethylammonium Borohydride 90.0+%, TCI America™
CAS: 85874-45-9 Molecular Formula: C13H22BN Molecular Weight (g/mol): 203.136 MDL Number: MFCD00191785 InChI Key: HQGWCEJYXHFBSA-UHFFFAOYSA-N Synonym: benzyltriethylammonium borohydride,benzyltriethylazanium ? 1-boranuidylidene,n,n,n-triethyl-benzenemethanaminium tetrahydroborate PubChem CID: 10899792 IUPAC Name: benzyl(triethyl)azanium;boron(1-) SMILES: [B-].CC[N+](CC)(CC)CC1=CC=CC=C1
| PubChem CID | 10899792 |
|---|---|
| CAS | 85874-45-9 |
| Molecular Weight (g/mol) | 203.136 |
| MDL Number | MFCD00191785 |
| SMILES | [B-].CC[N+](CC)(CC)CC1=CC=CC=C1 |
| Synonym | benzyltriethylammonium borohydride,benzyltriethylazanium ? 1-boranuidylidene,n,n,n-triethyl-benzenemethanaminium tetrahydroborate |
| IUPAC Name | benzyl(triethyl)azanium;boron(1-) |
| InChI Key | HQGWCEJYXHFBSA-UHFFFAOYSA-N |
| Molecular Formula | C13H22BN |
N-Benzylethanolamine 95.0+%, TCI America™
CAS: 104-63-2 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00002840 InChI Key: XNIOWJUQPMKCIJ-UHFFFAOYSA-N Synonym: n-benzylethanolamine,2-benzylamino ethanol,benzylaminoethanol,benzylethanolamine,ethanol, 2-phenylmethyl amino,2-benzylamino ethan-1-ol,benzyl ethanolamine,n-benzyle ethanol amine,ethanol, 2-benzylamino,unii-48121ms9jm PubChem CID: 4348 IUPAC Name: 2-(benzylamino)ethan-1-ol SMILES: OCCNCC1=CC=CC=C1
| PubChem CID | 4348 |
|---|---|
| CAS | 104-63-2 |
| Molecular Weight (g/mol) | 151.21 |
| MDL Number | MFCD00002840 |
| SMILES | OCCNCC1=CC=CC=C1 |
| Synonym | n-benzylethanolamine,2-benzylamino ethanol,benzylaminoethanol,benzylethanolamine,ethanol, 2-phenylmethyl amino,2-benzylamino ethan-1-ol,benzyl ethanolamine,n-benzyle ethanol amine,ethanol, 2-benzylamino,unii-48121ms9jm |
| IUPAC Name | 2-(benzylamino)ethan-1-ol |
| InChI Key | XNIOWJUQPMKCIJ-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
(1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane Dihydrobromide 98.0+%, TCI America™
CAS: 116258-17-4 Molecular Formula: C12H18Br2N2 Molecular Weight (g/mol): 350.098 MDL Number: MFCD01321292 InChI Key: SOMPEQIPSQFVMO-AQEKLAMFSA-N PubChem CID: 14612542 IUPAC Name: (1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide SMILES: C1C2CNC1CN2CC3=CC=CC=C3.Br.Br
| PubChem CID | 14612542 |
|---|---|
| CAS | 116258-17-4 |
| Molecular Weight (g/mol) | 350.098 |
| MDL Number | MFCD01321292 |
| SMILES | C1C2CNC1CN2CC3=CC=CC=C3.Br.Br |
| IUPAC Name | (1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide |
| InChI Key | SOMPEQIPSQFVMO-AQEKLAMFSA-N |
| Molecular Formula | C12H18Br2N2 |
1-Benzyl-3-aminopyrrolidine 97.0+%, TCI America™
CAS: 18471-40-4 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 MDL Number: MFCD00059036 InChI Key: HBVNLKQGRZPGRP-UHFFFAOYSA-N Synonym: 3-Amino-1-benzylpyrrolidine PubChem CID: 2756613 IUPAC Name: 1-benzylpyrrolidin-3-amine SMILES: C1CN(CC1N)CC2=CC=CC=C2
| PubChem CID | 2756613 |
|---|---|
| CAS | 18471-40-4 |
| Molecular Weight (g/mol) | 176.263 |
| MDL Number | MFCD00059036 |
| SMILES | C1CN(CC1N)CC2=CC=CC=C2 |
| Synonym | 3-Amino-1-benzylpyrrolidine |
| IUPAC Name | 1-benzylpyrrolidin-3-amine |
| InChI Key | HBVNLKQGRZPGRP-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2 |
4-Bromobenzylamine Hydrochloride 97.0+%, TCI America™
CAS: 26177-44-6 Molecular Formula: C7H9BrClN Molecular Weight (g/mol): 222.51 MDL Number: MFCD00012860 InChI Key: BVYUYDBWQMSOKM-UHFFFAOYSA-N Synonym: 4-bromobenzylamine hydrochloride,4-bromophenyl methanamine hydrochloride,4-bromobenzylamine hcl,4-bba x hcl,4-bromo-benzylamine hydrochloride,p-bromobenzylamine hydrochloride,benzenemethanamine, 4-bromo-, hydrochloride,pubchem3751,acmc-1cfrz,4-bromobenzylamine, hcl PubChem CID: 2724096 IUPAC Name: hydrogen 1-(4-bromophenyl)methanamine chloride SMILES: [H+].[Cl-].NCC1=CC=C(Br)C=C1
| PubChem CID | 2724096 |
|---|---|
| CAS | 26177-44-6 |
| Molecular Weight (g/mol) | 222.51 |
| MDL Number | MFCD00012860 |
| SMILES | [H+].[Cl-].NCC1=CC=C(Br)C=C1 |
| Synonym | 4-bromobenzylamine hydrochloride,4-bromophenyl methanamine hydrochloride,4-bromobenzylamine hcl,4-bba x hcl,4-bromo-benzylamine hydrochloride,p-bromobenzylamine hydrochloride,benzenemethanamine, 4-bromo-, hydrochloride,pubchem3751,acmc-1cfrz,4-bromobenzylamine, hcl |
| IUPAC Name | hydrogen 1-(4-bromophenyl)methanamine chloride |
| InChI Key | BVYUYDBWQMSOKM-UHFFFAOYSA-N |
| Molecular Formula | C7H9BrClN |
4-Methoxybenzylamine 97.0+%, TCI America™
CAS: 2393-23-9 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00008122 InChI Key: IDPURXSQCKYKIJ-UHFFFAOYSA-N Synonym: 4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine PubChem CID: 75452 ChEBI: CHEBI:49837 IUPAC Name: (4-methoxyphenyl)methanamine SMILES: COC1=CC=C(C=C1)CN
| PubChem CID | 75452 |
|---|---|
| CAS | 2393-23-9 |
| Molecular Weight (g/mol) | 137.182 |
| ChEBI | CHEBI:49837 |
| MDL Number | MFCD00008122 |
| SMILES | COC1=CC=C(C=C1)CN |
| Synonym | 4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine |
| IUPAC Name | (4-methoxyphenyl)methanamine |
| InChI Key | IDPURXSQCKYKIJ-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
4-(Aminomethyl)phenol 98.0+%, TCI America™
CAS: 696-60-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD19690971 InChI Key: RQJDUEKERVZLLU-UHFFFAOYSA-N Synonym: 4-hydroxybenzylamine,4-aminomethyl phenol,4-aminomethyl-phenol,para-hydroxybenzylamine,unii-7j7f85b7bi,4-hydroxyphenyl methanaminium bromide,a-amino-p-cresol,4-hyroxybenzylamine,p-hydroxybenzylamine,4-hydroxylbenzylamine PubChem CID: 97472 IUPAC Name: 4-(aminomethyl)phenol SMILES: NCC1=CC=C(O)C=C1
| PubChem CID | 97472 |
|---|---|
| CAS | 696-60-6 |
| Molecular Weight (g/mol) | 123.16 |
| MDL Number | MFCD19690971 |
| SMILES | NCC1=CC=C(O)C=C1 |
| Synonym | 4-hydroxybenzylamine,4-aminomethyl phenol,4-aminomethyl-phenol,para-hydroxybenzylamine,unii-7j7f85b7bi,4-hydroxyphenyl methanaminium bromide,a-amino-p-cresol,4-hyroxybenzylamine,p-hydroxybenzylamine,4-hydroxylbenzylamine |
| IUPAC Name | 4-(aminomethyl)phenol |
| InChI Key | RQJDUEKERVZLLU-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
(3R)-(-)-1-Benzyl-3-(ethylamino)pyrrolidine 95.0+%, TCI America™
CAS: 376591-05-8 Molecular Formula: C13H20N2 Molecular Weight (g/mol): 204.317 MDL Number: MFCD00191306 InChI Key: ZSIUSRJKSLXIJH-CYBMUJFWSA-N PubChem CID: 12362913 IUPAC Name: (3R)-1-benzyl-N-ethylpyrrolidin-3-amine SMILES: CCNC1CCN(C1)CC2=CC=CC=C2
| PubChem CID | 12362913 |
|---|---|
| CAS | 376591-05-8 |
| Molecular Weight (g/mol) | 204.317 |
| MDL Number | MFCD00191306 |
| SMILES | CCNC1CCN(C1)CC2=CC=CC=C2 |
| IUPAC Name | (3R)-1-benzyl-N-ethylpyrrolidin-3-amine |
| InChI Key | ZSIUSRJKSLXIJH-CYBMUJFWSA-N |
| Molecular Formula | C13H20N2 |
2-Methylbenzylamine 98.0+%, TCI America™
CAS: 89-93-0 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.183 MDL Number: MFCD00008112 InChI Key: CJAAPVQEZPAQNI-UHFFFAOYSA-N Synonym: 2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine PubChem CID: 6993 IUPAC Name: (2-methylphenyl)methanamine SMILES: CC1=CC=CC=C1CN
| PubChem CID | 6993 |
|---|---|
| CAS | 89-93-0 |
| Molecular Weight (g/mol) | 121.183 |
| MDL Number | MFCD00008112 |
| SMILES | CC1=CC=CC=C1CN |
| Synonym | 2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine |
| IUPAC Name | (2-methylphenyl)methanamine |
| InChI Key | CJAAPVQEZPAQNI-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
Tolylene-2,6-diisocyanate 98.0+%, TCI America™
CAS: 91-08-7 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00002010 InChI Key: RUELTTOHQODFPA-UHFFFAOYSA-N Synonym: 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene PubChem CID: 7040 ChEBI: CHEBI:53557 IUPAC Name: 1,3-diisocyanato-2-methylbenzene SMILES: CC1=C(C=CC=C1N=C=O)N=C=O
| PubChem CID | 7040 |
|---|---|
| CAS | 91-08-7 |
| Molecular Weight (g/mol) | 174.159 |
| ChEBI | CHEBI:53557 |
| MDL Number | MFCD00002010 |
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O |
| Synonym | 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene |
| IUPAC Name | 1,3-diisocyanato-2-methylbenzene |
| InChI Key | RUELTTOHQODFPA-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
4-Bromo-2,2-diphenylbutyronitrile 95.0+%, TCI America™
CAS: 39186-58-8 Molecular Formula: C16H14BrN Molecular Weight (g/mol): 300.199 MDL Number: MFCD00001845 InChI Key: IGYSFJHVFHNOEI-UHFFFAOYSA-N Synonym: 4-bromo-2,2-diphenylbutyronitrile,2,2-diphenyl-4-bromobutyronitrile,4-bromo-2,2-diphenyl-butyronitrile,3-cyano-3,3-diphenylpropyl bromide,benzeneacetonitrile, .alpha.-2-bromoethyl-.alpha.-phenyl,acmc-1csza,butyronitrile,2-diphenyl,ksc495i2r,aronis25014,bromoethyl diphenyl acetonitrile PubChem CID: 96575 IUPAC Name: 4-bromo-2,2-diphenylbutanenitrile SMILES: C1=CC=C(C=C1)C(CCBr)(C#N)C2=CC=CC=C2
| PubChem CID | 96575 |
|---|---|
| CAS | 39186-58-8 |
| Molecular Weight (g/mol) | 300.199 |
| MDL Number | MFCD00001845 |
| SMILES | C1=CC=C(C=C1)C(CCBr)(C#N)C2=CC=CC=C2 |
| Synonym | 4-bromo-2,2-diphenylbutyronitrile,2,2-diphenyl-4-bromobutyronitrile,4-bromo-2,2-diphenyl-butyronitrile,3-cyano-3,3-diphenylpropyl bromide,benzeneacetonitrile, .alpha.-2-bromoethyl-.alpha.-phenyl,acmc-1csza,butyronitrile,2-diphenyl,ksc495i2r,aronis25014,bromoethyl diphenyl acetonitrile |
| IUPAC Name | 4-bromo-2,2-diphenylbutanenitrile |
| InChI Key | IGYSFJHVFHNOEI-UHFFFAOYSA-N |
| Molecular Formula | C16H14BrN |
2,2-Diphenylpropionitrile 98.0+%, TCI America™
CAS: 5558-67-8 Molecular Formula: C15H13N Molecular Weight (g/mol): 207.276 MDL Number: MFCD00001846 InChI Key: DPVHBXFSKLKYIQ-UHFFFAOYSA-N Synonym: 2,2-diphenylpropionitrile,1,1-diphenylethyl cyanide,2,2-diphenylpropiononitrile,2,2-diphenyl propionitrile,.alpha.,.alpha.-diphenylpropionitrile,pubchem12547,acmc-209lnw,2,2-diphenylpropanitrile,2,2-diphenyl-propionitrile,2, 2-diphenyl propionitrile PubChem CID: 79677 IUPAC Name: 2,2-diphenylpropanenitrile SMILES: CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
| PubChem CID | 79677 |
|---|---|
| CAS | 5558-67-8 |
| Molecular Weight (g/mol) | 207.276 |
| MDL Number | MFCD00001846 |
| SMILES | CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2 |
| Synonym | 2,2-diphenylpropionitrile,1,1-diphenylethyl cyanide,2,2-diphenylpropiononitrile,2,2-diphenyl propionitrile,.alpha.,.alpha.-diphenylpropionitrile,pubchem12547,acmc-209lnw,2,2-diphenylpropanitrile,2,2-diphenyl-propionitrile,2, 2-diphenyl propionitrile |
| IUPAC Name | 2,2-diphenylpropanenitrile |
| InChI Key | DPVHBXFSKLKYIQ-UHFFFAOYSA-N |
| Molecular Formula | C15H13N |
Diphenylacetonitrile 99.0+%, TCI America™
CAS: 86-29-3 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00001862 InChI Key: NEBPTMCRLHKPOB-UHFFFAOYSA-N Synonym: diphenylacetonitrile,dipan,diphenatrile,benzhydrylcyanide,diphenylmethylcyanide,benzyhydrylcyanide,acetonitrile, diphenyl,benzeneacetonitrile, alpha-phenyl,usaf kf-13,difenylacetonitril PubChem CID: 6837 IUPAC Name: 2,2-diphenylacetonitrile SMILES: C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2
| PubChem CID | 6837 |
|---|---|
| CAS | 86-29-3 |
| Molecular Weight (g/mol) | 193.249 |
| MDL Number | MFCD00001862 |
| SMILES | C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2 |
| Synonym | diphenylacetonitrile,dipan,diphenatrile,benzhydrylcyanide,diphenylmethylcyanide,benzyhydrylcyanide,acetonitrile, diphenyl,benzeneacetonitrile, alpha-phenyl,usaf kf-13,difenylacetonitril |
| IUPAC Name | 2,2-diphenylacetonitrile |
| InChI Key | NEBPTMCRLHKPOB-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |