Organoheterocyclic compounds
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2',3'-Isopropylideneuridine
CAS: 362-43-6 Molecular Formula: C12H16N2O6 Molecular Weight (g/mol): 284.268 MDL Number: MFCD00034509 InChI Key: GFDUSNQQMOENLR-PEBGCTIMSA-N Synonym: 2',3'-isopropylideneuridine,2',3'-o-isopropylidene uridine,2',3'-o-isopropylideneuridine,1-3ar,4r,6r,6ar-6-hydroxymethyl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl pyrimidine-2,4 1h,3h-dione,1-1r,2r,4r,5r-4-hydroxymethyl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oct-2-yl-1,3-dihydropyrimidine-2,4-dione,1-3ar,4r,6r,6ar-6-hydroxymethyl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl-3h-pyrimidine-2,4-dione,2/',3/'-isopropylideneuridine,2',3'-o-isopropylideneuridine hplc,1-3ar,4r,6r,6ar-6-hydroxymethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl pyrimidine-2,4-dione,1-3ar,4r,6r,6ar-6-hydroxymethyl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 64967 IUPAC Name: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione SMILES: CC1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)CO)C
| PubChem CID | 64967 |
|---|---|
| CAS | 362-43-6 |
| Molecular Weight (g/mol) | 284.268 |
| MDL Number | MFCD00034509 |
| SMILES | CC1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)CO)C |
| Synonym | 2',3'-isopropylideneuridine,2',3'-o-isopropylidene uridine,2',3'-o-isopropylideneuridine,1-3ar,4r,6r,6ar-6-hydroxymethyl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl pyrimidine-2,4 1h,3h-dione,1-1r,2r,4r,5r-4-hydroxymethyl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oct-2-yl-1,3-dihydropyrimidine-2,4-dione,1-3ar,4r,6r,6ar-6-hydroxymethyl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl-3h-pyrimidine-2,4-dione,2/',3/'-isopropylideneuridine,2',3'-o-isopropylideneuridine hplc,1-3ar,4r,6r,6ar-6-hydroxymethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl pyrimidine-2,4-dione,1-3ar,4r,6r,6ar-6-hydroxymethyl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione |
| InChI Key | GFDUSNQQMOENLR-PEBGCTIMSA-N |
| Molecular Formula | C12H16N2O6 |
2-(Bromomethyl)oxetane, 96%
CAS: 939759-23-6 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151.00 MDL Number: MFCD08544405 InChI Key: OMXAGUVERXNCSZ-UHFFFAOYNA-N Synonym: 2-bromomethyl oxetane,2-bromomethyl-oxetane,oxetane, 2-bromomethyl,cyclobutane, bromomethyl,2-bromomethyl oxetane oxetane, 2-bromomethyl PubChem CID: 16244494 IUPAC Name: 2-(bromomethyl)oxetane SMILES: BrCC1CCO1
| PubChem CID | 16244494 |
|---|---|
| CAS | 939759-23-6 |
| Molecular Weight (g/mol) | 151.00 |
| MDL Number | MFCD08544405 |
| SMILES | BrCC1CCO1 |
| Synonym | 2-bromomethyl oxetane,2-bromomethyl-oxetane,oxetane, 2-bromomethyl,cyclobutane, bromomethyl,2-bromomethyl oxetane oxetane, 2-bromomethyl |
| IUPAC Name | 2-(bromomethyl)oxetane |
| InChI Key | OMXAGUVERXNCSZ-UHFFFAOYNA-N |
| Molecular Formula | C4H7BrO |
Benzydamine hydrochloride
CAS: 132-69-4 Molecular Formula: C19H24ClN3O Molecular Weight (g/mol): 345.871 MDL Number: MFCD00078957 InChI Key: HNNIWKQLJSNAEQ-UHFFFAOYSA-N Synonym: benzydamine hydrochloride,benzydamine hcl,benalgin,benzindamine hydrochloride,benzidamine hydrochloride,benzidan,benzyrin,difflam,dorinamin,enzamin PubChem CID: 65464 IUPAC Name: 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride SMILES: CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl
| PubChem CID | 65464 |
|---|---|
| CAS | 132-69-4 |
| Molecular Weight (g/mol) | 345.871 |
| MDL Number | MFCD00078957 |
| SMILES | CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl |
| Synonym | benzydamine hydrochloride,benzydamine hcl,benalgin,benzindamine hydrochloride,benzidamine hydrochloride,benzidan,benzyrin,difflam,dorinamin,enzamin |
| IUPAC Name | 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride |
| InChI Key | HNNIWKQLJSNAEQ-UHFFFAOYSA-N |
| Molecular Formula | C19H24ClN3O |
Psoralen, 97%, Thermo Scientific Chemicals
CAS: 66-97-7 Molecular Formula: C11H6O3 Molecular Weight (g/mol): 186.17 MDL Number: MFCD00010520 InChI Key: ZCCUUQDIBDJBTK-UHFFFAOYSA-N Synonym: psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin PubChem CID: 6199 ChEBI: CHEBI:27616 IUPAC Name: 7H-furo[3,2-g]chromen-7-one SMILES: O=C1OC2=CC3=C(C=CO3)C=C2C=C1
| PubChem CID | 6199 |
|---|---|
| CAS | 66-97-7 |
| Molecular Weight (g/mol) | 186.17 |
| ChEBI | CHEBI:27616 |
| MDL Number | MFCD00010520 |
| SMILES | O=C1OC2=CC3=C(C=CO3)C=C2C=C1 |
| Synonym | psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin |
| IUPAC Name | 7H-furo[3,2-g]chromen-7-one |
| InChI Key | ZCCUUQDIBDJBTK-UHFFFAOYSA-N |
| Molecular Formula | C11H6O3 |
4-Chloroindole-3-acetic acid, 95%
CAS: 2519-61-1 Molecular Formula: C10H8ClNO2 Molecular Weight (g/mol): 209.629 MDL Number: MFCD00216155 InChI Key: WNCFBCKZRJDRKZ-UHFFFAOYSA-N Synonym: 4-chloroindole-3-acetic acid,2-4-chloro-1h-indol-3-yl acetic acid,4-cl-iaa,4-chloroindole-3-acetate,4-chloro-1h-indole-3-acetic acid,1h-indole-3-acetic acid, 4-chloro,4-chloro-3-indolylacetic acid,4-chloroindolyl-3-acetic acid,4-chloro-1h-indol-3-yl acetic acid,4-chloro-iaa PubChem CID: 100413 ChEBI: CHEBI:20339 IUPAC Name: 2-(4-chloro-1H-indol-3-yl)acetic acid SMILES: C1=CC2=C(C(=C1)Cl)C(=CN2)CC(=O)O
| PubChem CID | 100413 |
|---|---|
| CAS | 2519-61-1 |
| Molecular Weight (g/mol) | 209.629 |
| ChEBI | CHEBI:20339 |
| MDL Number | MFCD00216155 |
| SMILES | C1=CC2=C(C(=C1)Cl)C(=CN2)CC(=O)O |
| Synonym | 4-chloroindole-3-acetic acid,2-4-chloro-1h-indol-3-yl acetic acid,4-cl-iaa,4-chloroindole-3-acetate,4-chloro-1h-indole-3-acetic acid,1h-indole-3-acetic acid, 4-chloro,4-chloro-3-indolylacetic acid,4-chloroindolyl-3-acetic acid,4-chloro-1h-indol-3-yl acetic acid,4-chloro-iaa |
| IUPAC Name | 2-(4-chloro-1H-indol-3-yl)acetic acid |
| InChI Key | WNCFBCKZRJDRKZ-UHFFFAOYSA-N |
| Molecular Formula | C10H8ClNO2 |
(+)-cis-Diltiazem hydrochloride
CAS: 33286-22-5 Molecular Formula: C22H27ClN2O4S Molecular Weight (g/mol): 450.978 MDL Number: MFCD00069252 InChI Key: HDRXZJPWHTXQRI-BHDTVMLSSA-N Synonym: diltiazem hydrochloride,diltiazem hcl,herbesser,dilzene,lacerol,masdil,tildiem,tiazac,mono-tildiem,bi-tildiem PubChem CID: 62920 ChEBI: CHEBI:645509 IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride SMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
| PubChem CID | 62920 |
|---|---|
| CAS | 33286-22-5 |
| Molecular Weight (g/mol) | 450.978 |
| ChEBI | CHEBI:645509 |
| MDL Number | MFCD00069252 |
| SMILES | CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl |
| Synonym | diltiazem hydrochloride,diltiazem hcl,herbesser,dilzene,lacerol,masdil,tildiem,tiazac,mono-tildiem,bi-tildiem |
| IUPAC Name | [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride |
| InChI Key | HDRXZJPWHTXQRI-BHDTVMLSSA-N |
| Molecular Formula | C22H27ClN2O4S |
3-Bromo-7-nitroindazole, 98+%
CAS: 74209-34-0 Molecular Formula: C7H4BrN3O2 Molecular Weight (g/mol): 242.03 MDL Number: MFCD00159910 InChI Key: NFSTZPMYAZRZPC-UHFFFAOYSA-N Synonym: 3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj PubChem CID: 1649 IUPAC Name: 3-bromo-7-nitro-2H-indazole SMILES: [O-][N+](=O)C1=CC=CC2=C(Br)NN=C12
| PubChem CID | 1649 |
|---|---|
| CAS | 74209-34-0 |
| Molecular Weight (g/mol) | 242.03 |
| MDL Number | MFCD00159910 |
| SMILES | [O-][N+](=O)C1=CC=CC2=C(Br)NN=C12 |
| Synonym | 3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj |
| IUPAC Name | 3-bromo-7-nitro-2H-indazole |
| InChI Key | NFSTZPMYAZRZPC-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrN3O2 |
1H-1,2,3-Triazole, 98%
CAS: 288-36-8 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00014490 InChI Key: QWENRTYMTSOGBR-UHFFFAOYSA-N Synonym: 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole PubChem CID: 67516 ChEBI: CHEBI:35565 IUPAC Name: 2H-triazole SMILES: C1=NNN=C1
| PubChem CID | 67516 |
|---|---|
| CAS | 288-36-8 |
| Molecular Weight (g/mol) | 69.067 |
| ChEBI | CHEBI:35565 |
| MDL Number | MFCD00014490 |
| SMILES | C1=NNN=C1 |
| Synonym | 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole |
| IUPAC Name | 2H-triazole |
| InChI Key | QWENRTYMTSOGBR-UHFFFAOYSA-N |
| Molecular Formula | C2H3N3 |
4,5',8-Trimethylpsoralen, 97.5%
CAS: 3902-71-4 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00005010 InChI Key: FMHHVULEAZTJMA-UHFFFAOYSA-N Synonym: trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen PubChem CID: 5585 ChEBI: CHEBI:28329 IUPAC Name: 2,5,9-trimethylfuro[3,2-g]chromen-7-one SMILES: CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1
| PubChem CID | 5585 |
|---|---|
| CAS | 3902-71-4 |
| Molecular Weight (g/mol) | 228.25 |
| ChEBI | CHEBI:28329 |
| MDL Number | MFCD00005010 |
| SMILES | CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1 |
| Synonym | trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen |
| IUPAC Name | 2,5,9-trimethylfuro[3,2-g]chromen-7-one |
| InChI Key | FMHHVULEAZTJMA-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
Thermo Scientific Chemicals 5-Iodouracil, 99%
CAS: 696-07-1 Molecular Formula: C4H3IN2O2 Molecular Weight (g/mol): 237.98 MDL Number: MFCD00006020 InChI Key: KSNXJLQDQOIRIP-UHFFFAOYSA-N Synonym: 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 69672 ChEBI: CHEBI:43636 IUPAC Name: 5-iodo-1H-pyrimidine-2,4-dione SMILES: IC1=CNC(=O)NC1=O
| PubChem CID | 69672 |
|---|---|
| CAS | 696-07-1 |
| Molecular Weight (g/mol) | 237.98 |
| ChEBI | CHEBI:43636 |
| MDL Number | MFCD00006020 |
| SMILES | IC1=CNC(=O)NC1=O |
| Synonym | 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 5-iodo-1H-pyrimidine-2,4-dione |
| InChI Key | KSNXJLQDQOIRIP-UHFFFAOYSA-N |
| Molecular Formula | C4H3IN2O2 |
9-Hydroxyxanthene, 97+%
CAS: 90-46-0 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00005057 InChI Key: JFRMYMMIJXLMBB-UHFFFAOYSA-N Synonym: 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol PubChem CID: 72861 IUPAC Name: 9H-xanthen-9-ol SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
| PubChem CID | 72861 |
|---|---|
| CAS | 90-46-0 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00005057 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O |
| Synonym | 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol |
| IUPAC Name | 9H-xanthen-9-ol |
| InChI Key | JFRMYMMIJXLMBB-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
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
| PubChem CID | 181620 |
|---|---|
| CAS | 39079-62-4 |
| Molecular Weight (g/mol) | 190.154 |
| MDL Number | MFCD00017338 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O |
| 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 |
| IUPAC Name | 4-oxochromene-3-carboxylic acid |
| InChI Key | PCIITXGDSHXTSN-UHFFFAOYSA-N |
| Molecular Formula | C10H6O4 |
Flavone, 99%
CAS: 525-82-6 Molecular Formula: C15H10O2 Molecular Weight (g/mol): 222.243 MDL Number: MFCD00006825 InChI Key: VHBFFQKBGNRLFZ-UHFFFAOYSA-N Synonym: flavone,2-phenylchromone,2-phenyl-4h-chromen-4-one,2-phenyl-4-chromone,2-phenyl-4-benzopyron,2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2-phenyl,asmacoril,chromocor,cromaril PubChem CID: 10680 ChEBI: CHEBI:42491 IUPAC Name: 2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
| PubChem CID | 10680 |
|---|---|
| CAS | 525-82-6 |
| Molecular Weight (g/mol) | 222.243 |
| ChEBI | CHEBI:42491 |
| MDL Number | MFCD00006825 |
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
| Synonym | flavone,2-phenylchromone,2-phenyl-4h-chromen-4-one,2-phenyl-4-chromone,2-phenyl-4-benzopyron,2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2-phenyl,asmacoril,chromocor,cromaril |
| IUPAC Name | 2-phenylchromen-4-one |
| InChI Key | VHBFFQKBGNRLFZ-UHFFFAOYSA-N |
| Molecular Formula | C15H10O2 |
3-Methylbenzo[b]furan-2-carboxylic acid, 97%
CAS: 24673-56-1 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00060511 InChI Key: YMZTUCZCQMQFMK-UHFFFAOYSA-N Synonym: 3-methylbenzofuran-2-carboxylic acid,2-benzofurancarboxylic acid, 3-methyl,3-methyl-2-benzofurancarboxylic acid,3-methyl-benzofuran-2-carboxylic acid,3-methylbenzo b furan-2-carboxylic acid,cambridge id 5100668,acmc-1cp97,3-methylbenzofuran-2-carboxylicacid,3-methylbenzofuran 2 carboxylic acid,2-benzofurancarboxylicacid, 3-methyl PubChem CID: 600591 IUPAC Name: 3-methyl-1-benzofuran-2-carboxylic acid SMILES: CC1=C(OC2=CC=CC=C12)C(=O)O
| PubChem CID | 600591 |
|---|---|
| CAS | 24673-56-1 |
| Molecular Weight (g/mol) | 176.171 |
| MDL Number | MFCD00060511 |
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)O |
| Synonym | 3-methylbenzofuran-2-carboxylic acid,2-benzofurancarboxylic acid, 3-methyl,3-methyl-2-benzofurancarboxylic acid,3-methyl-benzofuran-2-carboxylic acid,3-methylbenzo b furan-2-carboxylic acid,cambridge id 5100668,acmc-1cp97,3-methylbenzofuran-2-carboxylicacid,3-methylbenzofuran 2 carboxylic acid,2-benzofurancarboxylicacid, 3-methyl |
| IUPAC Name | 3-methyl-1-benzofuran-2-carboxylic acid |
| InChI Key | YMZTUCZCQMQFMK-UHFFFAOYSA-N |
| Molecular Formula | C10H8O3 |
3-Amino-5-tert-butylisoxazole, 97%
CAS: 55809-36-4 Molecular Formula: C7H12N2O Molecular Weight (g/mol): 140.186 MDL Number: MFCD00055620 InChI Key: GGXGVZJHUKEJHO-UHFFFAOYSA-N Synonym: 3-amino-5-tert-butylisoxazole,5-tert-butylisoxazol-3-amine,3-amino-5-t-butylisoxazole,5-tert-butyl isoxazol-3-amine,3-isoxazolamine, 5-1,1-dimethylethyl,3-amino-5-tertbutylisoxazole,5-tert-butyl-isoxazol-3-ylamine,3-amino-5-tert-butyl isoxazole,5-tert-butyl isoxazole-3-ylamine PubChem CID: 171473 IUPAC Name: 5-tert-butyl-1,2-oxazol-3-amine SMILES: CC(C)(C)C1=CC(=NO1)N
| PubChem CID | 171473 |
|---|---|
| CAS | 55809-36-4 |
| Molecular Weight (g/mol) | 140.186 |
| MDL Number | MFCD00055620 |
| SMILES | CC(C)(C)C1=CC(=NO1)N |
| Synonym | 3-amino-5-tert-butylisoxazole,5-tert-butylisoxazol-3-amine,3-amino-5-t-butylisoxazole,5-tert-butyl isoxazol-3-amine,3-isoxazolamine, 5-1,1-dimethylethyl,3-amino-5-tertbutylisoxazole,5-tert-butyl-isoxazol-3-ylamine,3-amino-5-tert-butyl isoxazole,5-tert-butyl isoxazole-3-ylamine |
| IUPAC Name | 5-tert-butyl-1,2-oxazol-3-amine |
| InChI Key | GGXGVZJHUKEJHO-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2O |