Organoheterocyclic compounds
1-Acetylpiperidine-4-carboxylic acid, 98+%
CAS: 25503-90-6 Molecular Formula: C8H12NO3 Molecular Weight (g/mol): 170.19 MDL Number: MFCD00023706 InChI Key: WFCLWJHOKCQYOQ-UHFFFAOYSA-M Synonym: 1-acetyl-4-piperidinecarboxylic acid,1-acetylisonipecotic acid,1-acetyl-4-piperidine carboxylic acid,4-piperidinecarboxylic acid, 1-acetyl,n-acetyl-4-piperidinecarboxylic acid,1-acetyl-piperidine-4-carboxylic acid,maybridge1_003128,1-acetylpiperidine-4-carboxylic acid,,acetylisonipecotic acid,acmc-209gkl PubChem CID: 117255 IUPAC Name: 1-acetylpiperidine-4-carboxylic acid SMILES: CC(=O)N1CCC(CC1)C([O-])=O
3-Methylthiophene-2-carbonitrile, 96%
CAS: 55406-13-8 Molecular Formula: C6H5NS Molecular Weight (g/mol): 123.173 MDL Number: MFCD00052086 InChI Key: ALZHYEITUZEZMT-UHFFFAOYSA-N Synonym: 3-methyl-2-thiophenecarbonitrile,2-cyano-3-methylthiophene,acmc-1axot,3-methyl-thiophene-2-carbonitrile,3-methyl-2-thiophenecarbonitrile # PubChem CID: 521617 IUPAC Name: 3-methylthiophene-2-carbonitrile SMILES: CC1=C(SC=C1)C#N
Pyrimidine, 98+%
CAS: 289-95-2 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006059 InChI Key: CZPWVGJYEJSRLH-UHFFFAOYSA-N Synonym: 1,3-diazine,metadiazine,m-diazine,miazine,1,3-diazabenzene,base,1,3-diazin,pyrimidin,unii-k8cxk5q32l,k8cxk5q32l PubChem CID: 9260 ChEBI: CHEBI:16898 IUPAC Name: pyrimidine SMILES: C1=CN=CN=C1
3,5-Dimethylisoxazole-4-carboxylic acid, 99%
CAS: 2510-36-3 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD00051657 InChI Key: IJEUISLJVBUNRE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555 PubChem CID: 75636 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C)C(=O)O
5-Cyanoindole, 99%
CAS: 15861-24-2 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.16 MDL Number: MFCD00005669 InChI Key: YHYLDEVWYOFIJK-UHFFFAOYSA-N Synonym: 5-cyanoindole,indole-5-carbonitrile,5-cyano indole,5-cyano-1h-indole,indole-5-cyano,5-indolecarbonitrile,5-cyano-indole,indol-5-carbonitrile,indole, 5-cyano,pubchem7326 PubChem CID: 27513 IUPAC Name: 1H-indole-5-carbonitrile SMILES: C1=CC2=C(C=CN2)C=C1C#N
2-Hydroxymethyl-1,4-benzodioxane, 98%
CAS: 3663-82-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00006822 InChI Key: GWQOQQVKVOOHTI-UHFFFAOYSA-N Synonym: 2-hydroxymethyl-1,4-benzodioxane,2,3-dihydro-benzo 1,4 dioxin-2-yl-methanol,1,4-benzodioxan-2-methanol,2,3-dihydro-1,4-benzodioxin-2-ylmethanol,2,3-dihydrobenzo b 1,4 dioxin-2-yl methanol,1,4-benzodioxane-2-methanol,2-hydroxymethyl-1,4-benzodioxan,1,4-benzodioxin-2-methanol, 2,3-dihydro PubChem CID: 19314 IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethanol SMILES: C1C(OC2=CC=CC=C2O1)CO
4-Methylindole, 99%
CAS: 16096-32-5 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00005668 InChI Key: PZOUSPYUWWUPPK-UHFFFAOYSA-N Synonym: 4-methylindole,4-methyindole,1h-indole, 4-methyl,indole, 4-methyl,4-methyl indole,4-methyl-indole,pubchem7233,acmc-1bpu3,ksc179o0l PubChem CID: 85282 IUPAC Name: 4-methyl-1H-indole SMILES: CC1=C2C=CNC2=CC=C1
3-Aminopyrazole, 98%
CAS: 1820-80-0 Molecular Formula: C3H5N3 Molecular Weight (g/mol): 83.09 MDL Number: MFCD00005236 InChI Key: JVVRJMXHNUAPHW-UHFFFAOYSA-N Synonym: 3-aminopyrazole,1h-pyrazol-3-amine,1h-pyrazole-5-amine,5-aminopyrazole,1h-pyrazol-3-ylamine,3-amino-1h-pyrazole,3-aminopyrozole,5-amino-1h-pyrazole,aminopyrazole,3-pyrazolamine PubChem CID: 74561 IUPAC Name: 1H-pyrazol-5-amine SMILES: C1=C(NN=C1)N
1,4-Benzodioxane, 98%
CAS: 493-09-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00006821 InChI Key: BNBQRQQYDMDJAH-UHFFFAOYSA-N Synonym: 1,4-benzodioxane,1,4-benzodioxan,2,3-dihydrobenzo b 1,4 dioxine,1,4-benzodioxin, 2,3-dihydro,pyrocatechol ethylene ether,1,2-ethylenedioxy benzene,benzodioxan,ethylene o-phenylene dioxide,1,2-ethylenedioxybenzene,1, 4-benzdioxan PubChem CID: 10301 IUPAC Name: 2,3-dihydro-1,4-benzodioxine SMILES: C1COC2=CC=CC=C2O1
2-Thiophenemethanol, 97%
CAS: 636-72-6 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00005454 InChI Key: ZPHGMBGIFODUMF-UHFFFAOYSA-N Synonym: 2-thiophenemethanol,thiophene-2-methanol,2-thienylmethanol,2-hydroxymethylthiophene,2-thenyl alcohol,2-hydroxymethyl thiophene,thenyl alcohol,2-thiophenecarbinol,thien-2-yl methanol,thiophen-2-yl methanol PubChem CID: 69467 IUPAC Name: thiophen-2-ylmethanol SMILES: OCC1=CC=CS1
Ethyl N-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride, 97%, tech.
CAS: 52763-21-0 Molecular Formula: C15H20ClNO3 Molecular Weight (g/mol): 297.78 MDL Number: MFCD00012792 InChI Key: UQOMEAWPKSISII-UHFFFAOYNA-N Synonym: ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride,ethyl n-benzyl-3-oxo-4-piperidine-carboxylate hydrochloride,ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride,1-benzyl-4-ethoxycarbonyl-3-piperidone hydrochloride,ethyl 1-benzyl-3-oxo-piperidine-4-carboxylate hcl,ethyl 1-benzyl-3-oxo-piperidine-4-carboxylate hydrochloride,1-benzyl-3-oxopiperidine-4-carboxylic acid ethyl ester hydrochloride,ethyl n-benzyl-3-oxopiperidine-4-carboxylate hydrochloride,zlchem 420,pubchem19671 PubChem CID: 2723880 IUPAC Name: ethyl 1-benzyl-3-oxopiperidine-4-carboxylate;hydrochloride SMILES: [H+].[Cl-].CCOC(=O)C1CCN(CC2=CC=CC=C2)CC1=O
Chromone-3-carboxylic acid, 98%
CAS: 39079-62-4 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00017338 InChI Key: PCIITXGDSHXTSN-UHFFFAOYSA-N Synonym: chromone-3-carboxylic acid,4-oxo-4h-chromene-3-carboxylic acid,4-oxo-4h-1-benzopyran-3-carboxylic acid,maybridge1_005842,3-carboxychromone,d04tgn,acmc-1ad65,4-oxo-chromene-3-carboxylic acid,4h-chromen-4-one-3-carboxylic acid PubChem CID: 181620 IUPAC Name: 4-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O
Diethyl 3,4-furandicarboxylate, 95%
CAS: 30614-77-8 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.20 MDL Number: MFCD00005349 InChI Key: ZODFWNHYQARJLC-UHFFFAOYSA-N Synonym: diethyl 3,4-furandicarboxylate,3,4-furandicarboxylic acid, diethyl ester,3,4-diethyl furan-3,4-dicarboxylate,furan-3,4-dicarboxylic acid diethyl ester,5-18-07-00053 beilstein handbook reference,zodfwnhyqarjlc-uhfffaoysa,3,4-furandicarboxylicacid, 3,4-diethyl ester PubChem CID: 35399 IUPAC Name: diethyl furan-3,4-dicarboxylate SMILES: CCOC(=O)C1=COC=C1C(=O)OCC
3-Aminopyrazine-2-carboxylic acid, 99+%
CAS: 1-1-5424 Molecular Formula: C5H5N3O2 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006141 InChI Key: ZAGZIOYVEIDDJA-UHFFFAOYSA-N Synonym: 3-amino-2-pyrazinecarboxylic acid,pyrazinecarboxylic acid, 3-amino,2-amino-3-pyrazinecarboxylic acid,3-aminopiperazine-2-carboxylic acid,2-aminopyrazine-3-carboxylic acid,2-pyrazinecarboxylic acid, 3-amino,3-aminopyrazine-2-carboxyliacid,zlchem 459,pubchem8544,3-aminopyrazinoic acid PubChem CID: 72656 IUPAC Name: 3-aminopyrazine-2-carboxylic acid SMILES: C1=CN=C(C(=N1)C(=O)O)N
2-Aminopyrimidine, 98%
CAS: 109-12-6 Molecular Formula: C4H5N3 Molecular Weight (g/mol): 95.11 MDL Number: MFCD00006089 InChI Key: LJXQPZWIHJMPQQ-UHFFFAOYSA-N Synonym: 2-aminopyrimidine,2-pyrimidinamine,pyrimidin-2-ylamine,pyrimidinamine,aminopyrimidine,2-pyrimidiylamine,pyrimidine, 2-amino,2-pyridiylamine,1,2-dihydro-2-iminopyrimidine,pyrimidine, amino PubChem CID: 7978 ChEBI: CHEBI:38618 IUPAC Name: pyrimidin-2-amine SMILES: NC1=NC=CC=N1