Organoheterocyclic compounds
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5-Nitro-1,10-phenanthroline, 98%
CAS: 4199-88-6 Molecular Formula: C12H7N3O2 Molecular Weight (g/mol): 225.207 MDL Number: MFCD00004981 InChI Key: PDDBTWXLNJNICS-UHFFFAOYSA-N PubChem CID: 72790 IUPAC Name: 5-nitro-1,10-phenanthroline SMILES: C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-]
| PubChem CID | 72790 |
|---|---|
| CAS | 4199-88-6 |
| Molecular Weight (g/mol) | 225.207 |
| MDL Number | MFCD00004981 |
| SMILES | C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-] |
| IUPAC Name | 5-nitro-1,10-phenanthroline |
| InChI Key | PDDBTWXLNJNICS-UHFFFAOYSA-N |
| Molecular Formula | C12H7N3O2 |
Raltegravir potassium salt
CAS: 871038-72-1 Molecular Formula: C20H20FKN6O5 Molecular Weight (g/mol): 482.51 InChI Key: IFUKBHBISRAZTF-UHFFFAOYSA-M Synonym: raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide PubChem CID: 23668479 IUPAC Name: potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate SMILES: CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]
| PubChem CID | 23668479 |
|---|---|
| CAS | 871038-72-1 |
| Molecular Weight (g/mol) | 482.51 |
| SMILES | CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+] |
| Synonym | raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide |
| IUPAC Name | potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate |
| InChI Key | IFUKBHBISRAZTF-UHFFFAOYSA-M |
| Molecular Formula | C20H20FKN6O5 |
Methyl 4,6-O-benzylidene-alpha-D-glucopyranoside, 97%
CAS: 3162-96-7 Molecular Formula: C14H18O6 Molecular Weight (g/mol): 282.292 MDL Number: MFCD00006819 InChI Key: VVSWDMJYIDBTMV-BTZLDLHRSA-N Synonym: 4ar,6s,7r,8r,8as-6-methoxy-2-phenylhexahydropyrano 3,2-d 1,3 dioxine-7,8-diol,methyl 4,6-o-benzylidene-alpha-d-glucopyranoside,methyl 4,6-o-benzylidene-a-d-glucopyranoside,4ar,6s,7r,8r,8as-6-methoxy-2-phenyl-hexahydro-2h-pyrano 3,2-d 1,3 dioxine-7,8-diol,methyl 4,6-o-benzylidenehexopyranoside #,zlchem 511,methyl 4,6-o-benzylidene-,a-d-glucopyranoside,methyl 4,6-o-phenylmethylene-,glucopyranoside, methyl 4,6-o-benzylidene-, .alpha.-d,.alpha.-d-glucopyranoside, methyl 4,6-o-phenylmethylene PubChem CID: 11822086 IUPAC Name: (4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol SMILES: COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)O
| PubChem CID | 11822086 |
|---|---|
| CAS | 3162-96-7 |
| Molecular Weight (g/mol) | 282.292 |
| MDL Number | MFCD00006819 |
| SMILES | COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)O |
| Synonym | 4ar,6s,7r,8r,8as-6-methoxy-2-phenylhexahydropyrano 3,2-d 1,3 dioxine-7,8-diol,methyl 4,6-o-benzylidene-alpha-d-glucopyranoside,methyl 4,6-o-benzylidene-a-d-glucopyranoside,4ar,6s,7r,8r,8as-6-methoxy-2-phenyl-hexahydro-2h-pyrano 3,2-d 1,3 dioxine-7,8-diol,methyl 4,6-o-benzylidenehexopyranoside #,zlchem 511,methyl 4,6-o-benzylidene-,a-d-glucopyranoside,methyl 4,6-o-phenylmethylene-,glucopyranoside, methyl 4,6-o-benzylidene-, .alpha.-d,.alpha.-d-glucopyranoside, methyl 4,6-o-phenylmethylene |
| IUPAC Name | (4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol |
| InChI Key | VVSWDMJYIDBTMV-BTZLDLHRSA-N |
| Molecular Formula | C14H18O6 |
5-Methyl-2-furanmethanol, 97%
CAS: 3857-25-8 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.13 InChI Key: VOZFDEJGHQWZHU-UHFFFAOYSA-N Synonym: 5-methylfuran-2-yl methanol,5-methyl-2-furanmethanol,5-methylfurfuryl alcohol,5-methyl-2-furyl methanol,2-furanmethanol, 5-methyl,unii-0jvo5efa0a,0jvo5efa0a,pubchem9804,5-methyl furfuryl alcohol,5-methylfuran-2-methanol PubChem CID: 520911 IUPAC Name: (5-methylfuran-2-yl)methanol SMILES: CC1=CC=C(O1)CO
| PubChem CID | 520911 |
|---|---|
| CAS | 3857-25-8 |
| Molecular Weight (g/mol) | 112.13 |
| SMILES | CC1=CC=C(O1)CO |
| Synonym | 5-methylfuran-2-yl methanol,5-methyl-2-furanmethanol,5-methylfurfuryl alcohol,5-methyl-2-furyl methanol,2-furanmethanol, 5-methyl,unii-0jvo5efa0a,0jvo5efa0a,pubchem9804,5-methyl furfuryl alcohol,5-methylfuran-2-methanol |
| IUPAC Name | (5-methylfuran-2-yl)methanol |
| InChI Key | VOZFDEJGHQWZHU-UHFFFAOYSA-N |
| Molecular Formula | C6H8O2 |
Tetrahydro-2H-pyran-2-ol, 90%, cyclized form of 5-Hydroxypentanal
CAS: 694-54-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD02683093 InChI Key: CELWCAITJAEQNL-UHFFFAOYSA-N Synonym: 2-hydroxytetrahydropyran,tetrahydro-2h-pyran-2-ol,oxanol,2h-pyran-2-ol, tetrahydro,2-tetrahydropyranol,tetrahydropyran-2-ol,tetrahydro-2-hydroxy-2h-pyran,tetrahydro-2-pyranol,tetrahydropyranyl alcohol,2h-pyran-2-ol,tetrahydro PubChem CID: 136505 IUPAC Name: oxan-2-ol SMILES: C1CCOC(C1)O
| PubChem CID | 136505 |
|---|---|
| CAS | 694-54-2 |
| Molecular Weight (g/mol) | 102.13 |
| MDL Number | MFCD02683093 |
| SMILES | C1CCOC(C1)O |
| Synonym | 2-hydroxytetrahydropyran,tetrahydro-2h-pyran-2-ol,oxanol,2h-pyran-2-ol, tetrahydro,2-tetrahydropyranol,tetrahydropyran-2-ol,tetrahydro-2-hydroxy-2h-pyran,tetrahydro-2-pyranol,tetrahydropyranyl alcohol,2h-pyran-2-ol,tetrahydro |
| IUPAC Name | oxan-2-ol |
| InChI Key | CELWCAITJAEQNL-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
3,4-Methylenedioxyacetophenone, 98%
CAS: 3162-29-6 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00005831 InChI Key: BMHMKWXYXFBWMI-UHFFFAOYSA-N Synonym: 3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl PubChem CID: 76622 IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)OCO2
| PubChem CID | 76622 |
|---|---|
| CAS | 3162-29-6 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00005831 |
| SMILES | CC(=O)C1=CC2=C(C=C1)OCO2 |
| Synonym | 3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)ethanone |
| InChI Key | BMHMKWXYXFBWMI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
Xanthane hydride, Thermo Scientific Chemicals
CAS: 6846-35-1 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 InChI Key: YWZHEXZIISFIDA-UHFFFAOYSA-N IUPAC Name: 5-amino-3H-1,2,4-dithiazole-3-thione SMILES: NC1=NC(=S)SS1
| CAS | 6846-35-1 |
|---|---|
| Molecular Weight (g/mol) | 150.23 |
| SMILES | NC1=NC(=S)SS1 |
| IUPAC Name | 5-amino-3H-1,2,4-dithiazole-3-thione |
| InChI Key | YWZHEXZIISFIDA-UHFFFAOYSA-N |
| Molecular Formula | C2H2N2S3 |
2-chloro-6-methoxyisonicotinic acid, 97%, Thermo Scientific™
CAS: 15855-06-8 Molecular Formula: C7H6ClNO3 Molecular Weight (g/mol): 187.579 MDL Number: MFCD00173928 InChI Key: PJQBTHQTVJMCFX-UHFFFAOYSA-N Synonym: 2-chloro-6-methoxyisonicotinic acid,2-chloro-6-methoxy-isonicotinic acid,4-pyridinecarboxylic acid, 2-chloro-6-methoxy,2-chloro-6-methoxy-4-pyridinecarboxylic acid,2-chloro-6-methoxyisonicotinicacid,acmc-1bs54,ksc173i0h,2-chloro-6-methoxypyridine-4-carboxylicacid PubChem CID: 2782124 IUPAC Name: 2-chloro-6-methoxypyridine-4-carboxylic acid SMILES: COC1=NC(=CC(=C1)C(=O)O)Cl
| PubChem CID | 2782124 |
|---|---|
| CAS | 15855-06-8 |
| Molecular Weight (g/mol) | 187.579 |
| MDL Number | MFCD00173928 |
| SMILES | COC1=NC(=CC(=C1)C(=O)O)Cl |
| Synonym | 2-chloro-6-methoxyisonicotinic acid,2-chloro-6-methoxy-isonicotinic acid,4-pyridinecarboxylic acid, 2-chloro-6-methoxy,2-chloro-6-methoxy-4-pyridinecarboxylic acid,2-chloro-6-methoxyisonicotinicacid,acmc-1bs54,ksc173i0h,2-chloro-6-methoxypyridine-4-carboxylicacid |
| IUPAC Name | 2-chloro-6-methoxypyridine-4-carboxylic acid |
| InChI Key | PJQBTHQTVJMCFX-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO3 |
1-Amino-1-cyclopropanecarboxylic acid, 99%
CAS: 22059-21-8 Molecular Formula: C4H7NO2 Molecular Weight (g/mol): 101.11 MDL Number: MFCD00009944 InChI Key: PAJPWUMXBYXFCZ-UHFFFAOYSA-N Synonym: 1-aminocyclopropanecarboxylic acid,1-amino-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-amino,carboxycyclopropylamine,acc,alpha-aminocyclopropanecarboxylic acid,alpha-aminocyclopropane carboxylic acid,1-amino-cyclopropanecarboxylic acid,h-acpc-oh,aminocyclopropanecarboxylic acid PubChem CID: 535 ChEBI: CHEBI:18053 IUPAC Name: 1-aminocyclopropane-1-carboxylic acid SMILES: NC1(CC1)C(O)=O
| PubChem CID | 535 |
|---|---|
| CAS | 22059-21-8 |
| Molecular Weight (g/mol) | 101.11 |
| ChEBI | CHEBI:18053 |
| MDL Number | MFCD00009944 |
| SMILES | NC1(CC1)C(O)=O |
| Synonym | 1-aminocyclopropanecarboxylic acid,1-amino-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-amino,carboxycyclopropylamine,acc,alpha-aminocyclopropanecarboxylic acid,alpha-aminocyclopropane carboxylic acid,1-amino-cyclopropanecarboxylic acid,h-acpc-oh,aminocyclopropanecarboxylic acid |
| IUPAC Name | 1-aminocyclopropane-1-carboxylic acid |
| InChI Key | PAJPWUMXBYXFCZ-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO2 |
(R)-(+)-Propylene oxide, 99%
CAS: 15448-47-2 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00066211 InChI Key: GOOHAUXETOMSMM-GSVOUGTGSA-N Synonym: r-+-propylene oxide,r-propylene oxide,2r-2-methyloxirane,r-2-methyloxirane,r-methyloxirane,+-propylene oxide,r-epoxypropane,+-methyloxirane,r-+-1,2-epoxypropane,r-1,2-epoxypropane PubChem CID: 146261 ChEBI: CHEBI:28985 IUPAC Name: (2R)-2-methyloxirane SMILES: CC1CO1
| PubChem CID | 146261 |
|---|---|
| CAS | 15448-47-2 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:28985 |
| MDL Number | MFCD00066211 |
| SMILES | CC1CO1 |
| Synonym | r-+-propylene oxide,r-propylene oxide,2r-2-methyloxirane,r-2-methyloxirane,r-methyloxirane,+-propylene oxide,r-epoxypropane,+-methyloxirane,r-+-1,2-epoxypropane,r-1,2-epoxypropane |
| IUPAC Name | (2R)-2-methyloxirane |
| InChI Key | GOOHAUXETOMSMM-GSVOUGTGSA-N |
| Molecular Formula | C3H6O |
3,4-Diaminopyridine, 98%
CAS: 54-96-6 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006401 InChI Key: OYTKINVCDFNREN-UHFFFAOYSA-N Synonym: 3,4-diaminopyridine,amifampridine,3,4-pyridinediamine,firdapse,diamino-3,4 pyridine,4,5-diaminopyridine,3,4-dap,amifampridin,zenas,pyridine, 3,4-diamino PubChem CID: 5918 IUPAC Name: pyridine-3,4-diamine SMILES: C1=CN=CC(=C1N)N
| PubChem CID | 5918 |
|---|---|
| CAS | 54-96-6 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006401 |
| SMILES | C1=CN=CC(=C1N)N |
| Synonym | 3,4-diaminopyridine,amifampridine,3,4-pyridinediamine,firdapse,diamino-3,4 pyridine,4,5-diaminopyridine,3,4-dap,amifampridin,zenas,pyridine, 3,4-diamino |
| IUPAC Name | pyridine-3,4-diamine |
| InChI Key | OYTKINVCDFNREN-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3 |
Pyrazolo[1,5-a]pyrimidine-5-carboxylic acid, 97%
CAS: 1086375-50-9 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.14 MDL Number: MFCD09414725 InChI Key: SBDWLDBGGVPVAR-UHFFFAOYSA-N Synonym: pyrazolo 1,5-a pyrimidine-5-carboxylic acid,pyrazolo 1?5-a pyrimidine-5-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-5-carboxylic acid PubChem CID: 28875802 IUPAC Name: pyrazolo[1,5-a]pyrimidine-5-carboxylic acid SMILES: OC(=O)C1=NC2=CC=NN2C=C1
| PubChem CID | 28875802 |
|---|---|
| CAS | 1086375-50-9 |
| Molecular Weight (g/mol) | 163.14 |
| MDL Number | MFCD09414725 |
| SMILES | OC(=O)C1=NC2=CC=NN2C=C1 |
| Synonym | pyrazolo 1,5-a pyrimidine-5-carboxylic acid,pyrazolo 1?5-a pyrimidine-5-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-5-carboxylic acid |
| IUPAC Name | pyrazolo[1,5-a]pyrimidine-5-carboxylic acid |
| InChI Key | SBDWLDBGGVPVAR-UHFFFAOYSA-N |
| Molecular Formula | C7H5N3O2 |
Methyl 3-amino-2-thiophenecarboxylate, 99%
CAS: 22288-78-4 Molecular Formula: C6H7NO2S Molecular Weight (g/mol): 157.19 MDL Number: MFCD00009765 InChI Key: TWEQNZZOOFKOER-UHFFFAOYSA-N Synonym: methyl 3-amino-2-thiophenecarboxylate,3-aminothiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-amino-, methyl ester,3-amino-thiophene-2-carboxylic acid methyl ester,3-amino-2-thiophenecarboxylic acid methyl ester,methyl 3-amino-2-thiophene carboxylate,methyl-3-amino-thiophene-2-carboxylate,3-amino-2-carbomethoxythiophene,3-amino-2-methoxycarbonylthiophene,methyl3-aminothiophene-2-carboxylate PubChem CID: 89652 IUPAC Name: methyl 3-aminothiophene-2-carboxylate SMILES: COC(=O)C1=C(N)C=CS1
| PubChem CID | 89652 |
|---|---|
| CAS | 22288-78-4 |
| Molecular Weight (g/mol) | 157.19 |
| MDL Number | MFCD00009765 |
| SMILES | COC(=O)C1=C(N)C=CS1 |
| Synonym | methyl 3-amino-2-thiophenecarboxylate,3-aminothiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-amino-, methyl ester,3-amino-thiophene-2-carboxylic acid methyl ester,3-amino-2-thiophenecarboxylic acid methyl ester,methyl 3-amino-2-thiophene carboxylate,methyl-3-amino-thiophene-2-carboxylate,3-amino-2-carbomethoxythiophene,3-amino-2-methoxycarbonylthiophene,methyl3-aminothiophene-2-carboxylate |
| IUPAC Name | methyl 3-aminothiophene-2-carboxylate |
| InChI Key | TWEQNZZOOFKOER-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2S |
Pyridine-N-oxide, 95%
CAS: 694-59-7 Molecular Formula: C5H5NO Molecular Weight (g/mol): 95.1 MDL Number: MFCD00006194 InChI Key: ILVXOBCQQYKLDS-UHFFFAOYSA-N Synonym: pyridine-n-oxide,pyridine 1-oxide,pyridine n-oxide,pyridine oxide,pyridine, 1-oxide,pyridine-1-oxide,unii-91f12jjj4h,py n-oxide,pyridin-1-ium-1-olate,pyridine-oxide PubChem CID: 12753 ChEBI: CHEBI:29136 IUPAC Name: 1-oxidopyridin-1-ium SMILES: C1=CC=[N+](C=C1)[O-]
| PubChem CID | 12753 |
|---|---|
| CAS | 694-59-7 |
| Molecular Weight (g/mol) | 95.1 |
| ChEBI | CHEBI:29136 |
| MDL Number | MFCD00006194 |
| SMILES | C1=CC=[N+](C=C1)[O-] |
| Synonym | pyridine-n-oxide,pyridine 1-oxide,pyridine n-oxide,pyridine oxide,pyridine, 1-oxide,pyridine-1-oxide,unii-91f12jjj4h,py n-oxide,pyridin-1-ium-1-olate,pyridine-oxide |
| IUPAC Name | 1-oxidopyridin-1-ium |
| InChI Key | ILVXOBCQQYKLDS-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO |
(1S,4S)-(-)-2-BOC-2,5-diazabicyclo[2.2.1]heptane, 95%
CAS: 113451-59-5 Molecular Formula: C10H18N2O2 Molecular Weight (g/mol): 198.26 MDL Number: MFCD01569250 InChI Key: UXAWXZDXVOYLII-YUMQZZPRSA-N Synonym: 1s,4s-2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-tert-butyl 2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-n-tert-butoxycarbonyl-2,5-diazabicyclo 2.2.1 heptane,1s,4s---2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptan-2-carboxylate,1s,4s-2,5-diaza-bicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,1s,4s-n-boc-2,5-diazabicyclo 2.2.1 heptane,1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,tert-butyl 1s,4s---2,5-diazabicyclo 2.2.1 heptane-2-carboxylate PubChem CID: 11521263 IUPAC Name: tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate SMILES: CC(C)(C)OC(=O)N1CC2CC1CN2
| PubChem CID | 11521263 |
|---|---|
| CAS | 113451-59-5 |
| Molecular Weight (g/mol) | 198.26 |
| MDL Number | MFCD01569250 |
| SMILES | CC(C)(C)OC(=O)N1CC2CC1CN2 |
| Synonym | 1s,4s-2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-tert-butyl 2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-n-tert-butoxycarbonyl-2,5-diazabicyclo 2.2.1 heptane,1s,4s---2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptan-2-carboxylate,1s,4s-2,5-diaza-bicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,1s,4s-n-boc-2,5-diazabicyclo 2.2.1 heptane,1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,tert-butyl 1s,4s---2,5-diazabicyclo 2.2.1 heptane-2-carboxylate |
| IUPAC Name | tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
| InChI Key | UXAWXZDXVOYLII-YUMQZZPRSA-N |
| Molecular Formula | C10H18N2O2 |