Organic compounds
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1,6,20,25-Tetraaza[6.1.6.1]paracyclophane 98.0+%, TCI America™
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CAS: 74043-83-7 Molecular Formula: C34H40N4 Molecular Weight (g/mol): 504.72 MDL Number: MFCD00142567 InChI Key: MSPWJYMWDZWVPW-UHFFFAOYSA-N PubChem CID: 5231738 IUPAC Name: 7,12,22,27-tetraazapentacyclo[26.2.2.2³,⁶.2¹³,¹⁶.2¹⁸,²¹]octatriaconta-1(30),3,5,13,15,18,20,28,31,33,35,37-dodecaene SMILES: C1CCNC2=CC=C(CC3=CC=C(NCCCCNC4=CC=C(CC5=CC=C(NC1)C=C5)C=C4)C=C3)C=C2
| PubChem CID | 5231738 |
|---|---|
| CAS | 74043-83-7 |
| Molecular Weight (g/mol) | 504.72 |
| MDL Number | MFCD00142567 |
| SMILES | C1CCNC2=CC=C(CC3=CC=C(NCCCCNC4=CC=C(CC5=CC=C(NC1)C=C5)C=C4)C=C3)C=C2 |
| IUPAC Name | 7,12,22,27-tetraazapentacyclo[26.2.2.2³,⁶.2¹³,¹⁶.2¹⁸,²¹]octatriaconta-1(30),3,5,13,15,18,20,28,31,33,35,37-dodecaene |
| InChI Key | MSPWJYMWDZWVPW-UHFFFAOYSA-N |
| Molecular Formula | C34H40N4 |
1-(tert-Butoxycarbonyl)-4-piperidinecarboxaldehyde 95.0+%, TCI America™
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CAS: 137076-22-3 Molecular Formula: C11H19NO3 Molecular Weight (g/mol): 213.28 MDL Number: MFCD02179019 InChI Key: JYUQEWCJWDGCRX-UHFFFAOYSA-N Synonym: 1-boc-4-piperidinecarboxaldehyde,1-boc-4-formylpiperidine,1-tert-butoxycarbonyl-4-piperidinecarboxaldehyde,1-boc-piperidine-4-carboxaldehyde,n-boc-4-formylpiperidine,n-boc-4-piperidinecarboxaldehyde,1-tert-butoxycarbonyl-4-formylpiperidine,4-formyl-piperidine-1-carboxylic acid tert-butyl ester,n-boc-piperidine-4-carbaldehyde,4-formylpiperidine-1-carboxylic acid tert-butyl ester PubChem CID: 1514430 IUPAC Name: tert-butyl 4-formylpiperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C=O
| PubChem CID | 1514430 |
|---|---|
| CAS | 137076-22-3 |
| Molecular Weight (g/mol) | 213.28 |
| MDL Number | MFCD02179019 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C=O |
| Synonym | 1-boc-4-piperidinecarboxaldehyde,1-boc-4-formylpiperidine,1-tert-butoxycarbonyl-4-piperidinecarboxaldehyde,1-boc-piperidine-4-carboxaldehyde,n-boc-4-formylpiperidine,n-boc-4-piperidinecarboxaldehyde,1-tert-butoxycarbonyl-4-formylpiperidine,4-formyl-piperidine-1-carboxylic acid tert-butyl ester,n-boc-piperidine-4-carbaldehyde,4-formylpiperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 4-formylpiperidine-1-carboxylate |
| InChI Key | JYUQEWCJWDGCRX-UHFFFAOYSA-N |
| Molecular Formula | C11H19NO3 |
2-Bromo-5-cyanopyridine 97.0+%, TCI America™
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CAS: 139585-70-9 Molecular Formula: C6H3BrN2 Molecular Weight (g/mol): 183.008 MDL Number: MFCD00234141 InChI Key: XHYGUDGTUJPSNX-UHFFFAOYSA-N Synonym: 2-bromo-5-cyanopyridine,6-bromonicotinonitrile,2-bromo-5-pyridinecarbonitrile,5-cyano-2-bromopyridine,6-bromo-nicotinonitrile,6-bromo-3-pyridinecarbonitrile,3-pyridinecarbonitrile, 6-bromo,pubchem5963,2-bromo-5-cyano-pyridine,acmc-209cj9 PubChem CID: 5005718 IUPAC Name: 6-bromopyridine-3-carbonitrile SMILES: C1=CC(=NC=C1C#N)Br
| PubChem CID | 5005718 |
|---|---|
| CAS | 139585-70-9 |
| Molecular Weight (g/mol) | 183.008 |
| MDL Number | MFCD00234141 |
| SMILES | C1=CC(=NC=C1C#N)Br |
| Synonym | 2-bromo-5-cyanopyridine,6-bromonicotinonitrile,2-bromo-5-pyridinecarbonitrile,5-cyano-2-bromopyridine,6-bromo-nicotinonitrile,6-bromo-3-pyridinecarbonitrile,3-pyridinecarbonitrile, 6-bromo,pubchem5963,2-bromo-5-cyano-pyridine,acmc-209cj9 |
| IUPAC Name | 6-bromopyridine-3-carbonitrile |
| InChI Key | XHYGUDGTUJPSNX-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrN2 |
Bromhexine Hydrochloride 98.0+%, TCI America™
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CAS: 611-75-6 Molecular Formula: C14H21Br2ClN2 Molecular Weight (g/mol): 412.59 MDL Number: MFCD00056626 InChI Key: SXIVGYTWSVJOLM-UHFFFAOYNA-N Synonym: bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v PubChem CID: 5702220 ChEBI: CHEBI:31303 IUPAC Name: hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride SMILES: [H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N
| PubChem CID | 5702220 |
|---|---|
| CAS | 611-75-6 |
| Molecular Weight (g/mol) | 412.59 |
| ChEBI | CHEBI:31303 |
| MDL Number | MFCD00056626 |
| SMILES | [H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N |
| Synonym | bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v |
| IUPAC Name | hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride |
| InChI Key | SXIVGYTWSVJOLM-UHFFFAOYNA-N |
| Molecular Formula | C14H21Br2ClN2 |
Trimethylstearylammonium Chloride 98.0+%, TCI America™
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CAS: 112-03-8 Molecular Formula: C21H46ClN Molecular Weight (g/mol): 348.06 MDL Number: MFCD00050188 InChI Key: VBIIFPGSPJYLRR-UHFFFAOYSA-M Synonym: n,n,n-trimethyloctadecan-1-aminium chloride,stac,octadecyltrimethylammonium chloride,cation ab,stearyltrimethylammonium chloride,steartrimonium chloride,trimethyloctadecylammonium chloride,1-octadecanaminium, n,n,n-trimethyl-, chloride,nissan cation ab,aliquat 7 PubChem CID: 8155 ChEBI: CHEBI:81710 IUPAC Name: trimethyl(octadecyl)azanium chloride SMILES: [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C
| PubChem CID | 8155 |
|---|---|
| CAS | 112-03-8 |
| Molecular Weight (g/mol) | 348.06 |
| ChEBI | CHEBI:81710 |
| MDL Number | MFCD00050188 |
| SMILES | [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C |
| Synonym | n,n,n-trimethyloctadecan-1-aminium chloride,stac,octadecyltrimethylammonium chloride,cation ab,stearyltrimethylammonium chloride,steartrimonium chloride,trimethyloctadecylammonium chloride,1-octadecanaminium, n,n,n-trimethyl-, chloride,nissan cation ab,aliquat 7 |
| IUPAC Name | trimethyl(octadecyl)azanium chloride |
| InChI Key | VBIIFPGSPJYLRR-UHFFFAOYSA-M |
| Molecular Formula | C21H46ClN |
Ethyl Acetohydroximate 95.0+%, TCI America™
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CAS: 10576-12-2 Molecular Formula: C4H9NO2 Molecular Weight (g/mol): 103.12 MDL Number: MFCD00002114,MFCD00002114 InChI Key: QWKAVVNRCKPKNM-SNAWJCMRSA-N Synonym: ethyl n-hydroxyacetimidate,n-hydroxyethanimidic acid, ethyl ester,ethyl acetohydroximate,ethyl n-hydroxyethanimidate,e-ethyl n-hydroxyethanimidate,e-ethyl n-hydroxyacetimidate,ethyl 1e-n-hydroxyethanimidate,snx`lfelmmpqh,ethyl acethydroxamate,1-ethoxyethanone oxime PubChem CID: 6386647 IUPAC Name: (E)-(ethyl N-hydroxyethanimidate) SMILES: CCO\C(C)=N\O
| PubChem CID | 6386647 |
|---|---|
| CAS | 10576-12-2 |
| Molecular Weight (g/mol) | 103.12 |
| MDL Number | MFCD00002114,MFCD00002114 |
| SMILES | CCO\C(C)=N\O |
| Synonym | ethyl n-hydroxyacetimidate,n-hydroxyethanimidic acid, ethyl ester,ethyl acetohydroximate,ethyl n-hydroxyethanimidate,e-ethyl n-hydroxyethanimidate,e-ethyl n-hydroxyacetimidate,ethyl 1e-n-hydroxyethanimidate,snx`lfelmmpqh,ethyl acethydroxamate,1-ethoxyethanone oxime |
| IUPAC Name | (E)-(ethyl N-hydroxyethanimidate) |
| InChI Key | QWKAVVNRCKPKNM-SNAWJCMRSA-N |
| Molecular Formula | C4H9NO2 |
3-Bromofuran 98.0+%, TCI America™
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CAS: 22037-28-1 Molecular Formula: C4H3BrO Molecular Weight (g/mol): 146.97 MDL Number: MFCD00005347 InChI Key: LXWLEQZDXOQZGW-UHFFFAOYSA-N Synonym: furan, 3-bromo,.beta.-bromofuran,beta-bromofuran,3-furyl bromide,3-bromo furan,3-bromo-furan,zlchem 308,pubchem8830,3-bromofuran,acmc-209fqz PubChem CID: 89164 IUPAC Name: 3-bromofuran SMILES: BrC1=COC=C1
| PubChem CID | 89164 |
|---|---|
| CAS | 22037-28-1 |
| Molecular Weight (g/mol) | 146.97 |
| MDL Number | MFCD00005347 |
| SMILES | BrC1=COC=C1 |
| Synonym | furan, 3-bromo,.beta.-bromofuran,beta-bromofuran,3-furyl bromide,3-bromo furan,3-bromo-furan,zlchem 308,pubchem8830,3-bromofuran,acmc-209fqz |
| IUPAC Name | 3-bromofuran |
| InChI Key | LXWLEQZDXOQZGW-UHFFFAOYSA-N |
| Molecular Formula | C4H3BrO |
1-Octyne 95.0+%, TCI America™
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CAS: 629-05-0 Molecular Formula: C8H14 Molecular Weight (g/mol): 110.20 MDL Number: MFCD00009546 InChI Key: UMIPWJGWASORKV-UHFFFAOYSA-N Synonym: 1-octyne,hexylacetylene,octyne-1,n-octyne,hex-1-yl acetylene,pubchem13059,acmc-209na4,4-01-00-01034 beilstein handbook reference,1-octyne 10g PubChem CID: 12370 IUPAC Name: oct-1-yne SMILES: CCCCCCC#C
| PubChem CID | 12370 |
|---|---|
| CAS | 629-05-0 |
| Molecular Weight (g/mol) | 110.20 |
| MDL Number | MFCD00009546 |
| SMILES | CCCCCCC#C |
| Synonym | 1-octyne,hexylacetylene,octyne-1,n-octyne,hex-1-yl acetylene,pubchem13059,acmc-209na4,4-01-00-01034 beilstein handbook reference,1-octyne 10g |
| IUPAC Name | oct-1-yne |
| InChI Key | UMIPWJGWASORKV-UHFFFAOYSA-N |
| Molecular Formula | C8H14 |
n-Octane 97.0+%, TCI America™
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Molecular Formula: C8H18 Molecular Weight (g/mol): 114.232 MDL Number: MFCD00009556 InChI Key: TVMXDCGIABBOFY-UHFFFAOYSA-N Synonym: n-octane,oktan,oktanen,ottani,oktanen dutch,heptane, methyl,oktan polish,ottani italian,octane, all isomers,unii-x1rv0b2fjv PubChem CID: 356 ChEBI: CHEBI:17590 IUPAC Name: octane SMILES: CCCCCCCC
| PubChem CID | 356 |
|---|---|
| Molecular Weight (g/mol) | 114.232 |
| ChEBI | CHEBI:17590 |
| MDL Number | MFCD00009556 |
| SMILES | CCCCCCCC |
| Synonym | n-octane,oktan,oktanen,ottani,oktanen dutch,heptane, methyl,oktan polish,ottani italian,octane, all isomers,unii-x1rv0b2fjv |
| IUPAC Name | octane |
| InChI Key | TVMXDCGIABBOFY-UHFFFAOYSA-N |
| Molecular Formula | C8H18 |
4,4'-Diaminodiphenyl Ether 98.0+%, TCI America™
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CAS: 101-80-4 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.241 MDL Number: MFCD00007863 InChI Key: HLBLWEWZXPIGSM-UHFFFAOYSA-N Synonym: 4,4'-oxydianiline,4,4'-diaminodiphenyl ether,4,4-oxydianiline,4-aminophenyl ether,4,4'-oxybisbenzenamine,oxydianiline,4-4-aminophenoxy aniline,diaminodiphenyl ether,benzenamine, 4,4'-oxybis,p,p'-oxydianiline PubChem CID: 7579 ChEBI: CHEBI:34384 IUPAC Name: 4-(4-aminophenoxy)aniline SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N
| PubChem CID | 7579 |
|---|---|
| CAS | 101-80-4 |
| Molecular Weight (g/mol) | 200.241 |
| ChEBI | CHEBI:34384 |
| MDL Number | MFCD00007863 |
| SMILES | C1=CC(=CC=C1N)OC2=CC=C(C=C2)N |
| Synonym | 4,4'-oxydianiline,4,4'-diaminodiphenyl ether,4,4-oxydianiline,4-aminophenyl ether,4,4'-oxybisbenzenamine,oxydianiline,4-4-aminophenoxy aniline,diaminodiphenyl ether,benzenamine, 4,4'-oxybis,p,p'-oxydianiline |
| IUPAC Name | 4-(4-aminophenoxy)aniline |
| InChI Key | HLBLWEWZXPIGSM-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O |
Octadecylamine Hydrochloride 98.0+%, TCI America™
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CAS: 1838-08-0 Molecular Formula: C18H40ClN Molecular Weight (g/mol): 305.975 MDL Number: MFCD00042018 InChI Key: RNYJXPUAFDFIQJ-UHFFFAOYSA-N Synonym: octadecylamine hydrochloride,stearylamine hydrochloride,1-octadecylamine hydrochloride,stearamine hydrochloride,unii-3v3v50q0sj,1-octadecanamine, hydrochloride,octadecylamine, hydrochloride,acmc-1bnqe,octadecyl-ammonium chloride,c18h39n.hcl PubChem CID: 519552 IUPAC Name: octadecan-1-amine;hydrochloride SMILES: CCCCCCCCCCCCCCCCCCN.Cl
| PubChem CID | 519552 |
|---|---|
| CAS | 1838-08-0 |
| Molecular Weight (g/mol) | 305.975 |
| MDL Number | MFCD00042018 |
| SMILES | CCCCCCCCCCCCCCCCCCN.Cl |
| Synonym | octadecylamine hydrochloride,stearylamine hydrochloride,1-octadecylamine hydrochloride,stearamine hydrochloride,unii-3v3v50q0sj,1-octadecanamine, hydrochloride,octadecylamine, hydrochloride,acmc-1bnqe,octadecyl-ammonium chloride,c18h39n.hcl |
| IUPAC Name | octadecan-1-amine;hydrochloride |
| InChI Key | RNYJXPUAFDFIQJ-UHFFFAOYSA-N |
| Molecular Formula | C18H40ClN |
cis,cis-9,12-Octadecadien-1-ol 95.0+%, TCI America™
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CAS: 506-43-4 Molecular Formula: C18H34O Molecular Weight (g/mol): 266.47 MDL Number: MFCD00056667 InChI Key: JXNPEDYJTDQORS-HZJYTTRNSA-N Synonym: Linoleyl Alcohol PubChem CID: 5365682 ChEBI: CHEBI:73534 IUPAC Name: (9Z,12Z)-octadeca-9,12-dien-1-ol SMILES: CCCCC\C=C/C\C=C/CCCCCCCCO
| PubChem CID | 5365682 |
|---|---|
| CAS | 506-43-4 |
| Molecular Weight (g/mol) | 266.47 |
| ChEBI | CHEBI:73534 |
| MDL Number | MFCD00056667 |
| SMILES | CCCCC\C=C/C\C=C/CCCCCCCCO |
| Synonym | Linoleyl Alcohol |
| IUPAC Name | (9Z,12Z)-octadeca-9,12-dien-1-ol |
| InChI Key | JXNPEDYJTDQORS-HZJYTTRNSA-N |
| Molecular Formula | C18H34O |
1-Oxa-2-oxo-3-thiaindolizinium Chloride 98.0+%, TCI America™
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CAS: 89025-51-4 Molecular Formula: C6H5ClNO2S+ Molecular Weight (g/mol): 190.621 MDL Number: MFCD00134271 InChI Key: PVTYXZXONFHZCV-UHFFFAOYSA-N Synonym: 2-Oxo[1.4.2]oxathiazolo[2,3-a]pyridinium Chloride PubChem CID: 91873692 IUPAC Name: [1,3,4]oxathiazolo[4,5-a]pyridin-4-ium-2-one;hydrochloride SMILES: C1=CC=[N+]2C(=C1)OC(=O)S2.Cl
| PubChem CID | 91873692 |
|---|---|
| CAS | 89025-51-4 |
| Molecular Weight (g/mol) | 190.621 |
| MDL Number | MFCD00134271 |
| SMILES | C1=CC=[N+]2C(=C1)OC(=O)S2.Cl |
| Synonym | 2-Oxo[1.4.2]oxathiazolo[2,3-a]pyridinium Chloride |
| IUPAC Name | [1,3,4]oxathiazolo[4,5-a]pyridin-4-ium-2-one;hydrochloride |
| InChI Key | PVTYXZXONFHZCV-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClNO2S+ |
4-(2-Chloroacetamido)-2,2,6,6-tetramethylpiperidine 1-Oxyl Free Radical 96.0+%, TCI America™
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CAS: 36775-23-2 Molecular Formula: C11H20ClN2O2 MDL Number: MFCD00041858 Synonym: 4-(2-Chloroacetamido)-TEMPO
| CAS | 36775-23-2 |
|---|---|
| MDL Number | MFCD00041858 |
| Synonym | 4-(2-Chloroacetamido)-TEMPO |
| Molecular Formula | C11H20ClN2O2 |
5-Methyl-2-thiophenecarboxylic Acid 98.0+%, TCI America™
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CAS: 1918-79-2 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.172 MDL Number: MFCD00005439 InChI Key: VCNGNQLPFHVODE-UHFFFAOYSA-N Synonym: 5-methyl-2-thiophenecarboxylic acid,5-methyl-2-thenoic acid,2-thiophenecarboxylic acid, 5-methyl,2-carboxy-5-methylthiophene,5-methly-2-thiophenecarboxylic acid,5-methyl-thiophene-2-carboxylic acid,5-methyl-2-thiophene carboxylic acid,5-methylthiophen-2-carboxylic acid,2-methyl-5-thiophenecarboxylic acid,pubchem5206 PubChem CID: 74713 IUPAC Name: 5-methylthiophene-2-carboxylic acid SMILES: CC1=CC=C(S1)C(=O)O
| PubChem CID | 74713 |
|---|---|
| CAS | 1918-79-2 |
| Molecular Weight (g/mol) | 142.172 |
| MDL Number | MFCD00005439 |
| SMILES | CC1=CC=C(S1)C(=O)O |
| Synonym | 5-methyl-2-thiophenecarboxylic acid,5-methyl-2-thenoic acid,2-thiophenecarboxylic acid, 5-methyl,2-carboxy-5-methylthiophene,5-methly-2-thiophenecarboxylic acid,5-methyl-thiophene-2-carboxylic acid,5-methyl-2-thiophene carboxylic acid,5-methylthiophen-2-carboxylic acid,2-methyl-5-thiophenecarboxylic acid,pubchem5206 |
| IUPAC Name | 5-methylthiophene-2-carboxylic acid |
| InChI Key | VCNGNQLPFHVODE-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2S |