Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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1,10-Phenanthroline monohydrate, 99+%

CAS: 5144-89-8 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.23 MDL Number: MFCD00149973 InChI Key: PPQJCISYYXZCAE-UHFFFAOYSA-N PubChem CID: 21226 SMILES: O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1

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PubChem CID	21226
CAS	5144-89-8
Molecular Weight (g/mol)	198.23
MDL Number	MFCD00149973
SMILES	O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1
InChI Key	PPQJCISYYXZCAE-UHFFFAOYSA-N
Molecular Formula	C12H10N2O

1,10-Phenanthroline monohydrate, ACS

CAS: 5144-89-8 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.23 MDL Number: MFCD00149973 InChI Key: PPQJCISYYXZCAE-UHFFFAOYSA-N Synonym: 1,10-phenanthroline hydrate,1,10-phenanthroline monohydrate,o-phenanthroline monohydrate,unii-ksx215x00e,1,10-fenantrolina,4,5-phenanthroline monohydrate,1,10-phenanthroline, monohydrate,1,10-fenanthrolin,1,10-phenanthrolineo-phenanthroline,1, 10-phenanthroline monohydrate PubChem CID: 21226 IUPAC Name: 1,10-phenanthroline;hydrate SMILES: O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1

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PubChem CID	21226
CAS	5144-89-8
Molecular Weight (g/mol)	198.23
MDL Number	MFCD00149973
SMILES	O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1
Synonym	1,10-phenanthroline hydrate,1,10-phenanthroline monohydrate,o-phenanthroline monohydrate,unii-ksx215x00e,1,10-fenantrolina,4,5-phenanthroline monohydrate,1,10-phenanthroline, monohydrate,1,10-fenanthrolin,1,10-phenanthrolineo-phenanthroline,1, 10-phenanthroline monohydrate
IUPAC Name	1,10-phenanthroline;hydrate
InChI Key	PPQJCISYYXZCAE-UHFFFAOYSA-N
Molecular Formula	C12H10N2O

1H-Benzotriazole, 99%

CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.127 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1

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PubChem CID	7220
CAS	95-14-7
Molecular Weight (g/mol)	119.127
ChEBI	CHEBI:75331
MDL Number	MFCD00005699
SMILES	C1=CC2=NNN=C2C=C1
Synonym	1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
IUPAC Name	2H-benzotriazole
InChI Key	QRUDEWIWKLJBPS-UHFFFAOYSA-N
Molecular Formula	C6H5N3

N-Bromosuccinimide, 99%

CAS: 128-08-5 Molecular Formula: C4H4BrNO2 Molecular Weight (g/mol): 177.985 MDL Number: MFCD00005510 InChI Key: PCLIMKBDDGJMGD-UHFFFAOYSA-N Synonym: n-bromosuccinimide,succinbromimide,succinbromide,succinibromimide,n-bromosuccimide,2,5-pyrrolidinedione, 1-bromo,1-bromo-2,5-pyrrolidinedione,bromosuccinimide,nbs,n-bromo succinimide PubChem CID: 67184 ChEBI: CHEBI:53174 IUPAC Name: 1-bromopyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)Br

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PubChem CID	67184
CAS	128-08-5
Molecular Weight (g/mol)	177.985
ChEBI	CHEBI:53174
MDL Number	MFCD00005510
SMILES	C1CC(=O)N(C1=O)Br
Synonym	n-bromosuccinimide,succinbromimide,succinbromide,succinibromimide,n-bromosuccimide,2,5-pyrrolidinedione, 1-bromo,1-bromo-2,5-pyrrolidinedione,bromosuccinimide,nbs,n-bromo succinimide
IUPAC Name	1-bromopyrrolidine-2,5-dione
InChI Key	PCLIMKBDDGJMGD-UHFFFAOYSA-N
Molecular Formula	C4H4BrNO2

Indole-3-acetic acid, 98+%

CAS: 87-51-4 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005636 InChI Key: SEOVTRFCIGRIMH-UHFFFAOYSA-N Synonym: indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a PubChem CID: 802 ChEBI: CHEBI:16411 IUPAC Name: 2-(1H-indol-3-yl)acetic acid SMILES: OC(=O)CC1=CNC2=CC=CC=C12

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Specifications

PubChem CID	802
CAS	87-51-4
Molecular Weight (g/mol)	175.19
ChEBI	CHEBI:16411
MDL Number	MFCD00005636
SMILES	OC(=O)CC1=CNC2=CC=CC=C12
Synonym	indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a
IUPAC Name	2-(1H-indol-3-yl)acetic acid
InChI Key	SEOVTRFCIGRIMH-UHFFFAOYSA-N
Molecular Formula	C10H9NO2

Vitamin B12, 98+% (dry wt basis)

CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.39 MDL Number: MFCD00151092 InChI Key: YUWVGNQGDAPKCX-BVWPOUIRNA-L Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O

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Specifications

PubChem CID	129893524
CAS	68-19-9
Molecular Weight (g/mol)	1355.39
MDL Number	MFCD00151092
SMILES	[C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O
Synonym	vitamin b12
IUPAC Name	cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-
InChI Key	YUWVGNQGDAPKCX-BVWPOUIRNA-L
Molecular Formula	C63H88CoN14O14P

Thermo Scientific Chemicals Quinine sulfate dihydrate, 99+%

CAS: 6119-70-6 Molecular Formula: C40H54N4O10S Molecular Weight (g/mol): 782.95 MDL Number: MFCD00150790 InChI Key: ZHNFLHYOFXQIOW-OIGVVMIYNA-N PubChem CID: 134129495 IUPAC Name: (R)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;tetrahydrate SMILES: O.O.OS(O)(=O)=O.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C

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Specifications

PubChem CID	134129495
CAS	6119-70-6
Molecular Weight (g/mol)	782.95
MDL Number	MFCD00150790
SMILES	O.O.OS(O)(=O)=O.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
IUPAC Name	(R)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;tetrahydrate
InChI Key	ZHNFLHYOFXQIOW-OIGVVMIYNA-N
Molecular Formula	C40H54N4O10S

2-Methylimidazole, 99%

CAS: 693-98-1 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005190 InChI Key: LXBGSDVWAMZHDD-UHFFFAOYSA-N Synonym: 2-methylimidazole,1h-imidazole, 2-methyl,imidazole, 2-methyl,2-methyl imidazole,2-methylglyoxaline,unii-t0049z45lz,ccris 2459,dsstox_cid_2107,dsstox_rid_76489,dsstox_gsid_22107 PubChem CID: 12749 IUPAC Name: 2-methyl-1H-imidazole SMILES: CC1=NC=CN1

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Specifications

PubChem CID	12749
CAS	693-98-1
Molecular Weight (g/mol)	82.11
MDL Number	MFCD00005190
SMILES	CC1=NC=CN1
Synonym	2-methylimidazole,1h-imidazole, 2-methyl,imidazole, 2-methyl,2-methyl imidazole,2-methylglyoxaline,unii-t0049z45lz,ccris 2459,dsstox_cid_2107,dsstox_rid_76489,dsstox_gsid_22107
IUPAC Name	2-methyl-1H-imidazole
InChI Key	LXBGSDVWAMZHDD-UHFFFAOYSA-N
Molecular Formula	C4H6N2

Thermo Scientific Chemicals Fluorescein diacetate, 97%, pure

CAS: 596-09-8 Molecular Formula: C₂₄H₁₆O₇ Molecular Weight (g/mol): 416.39 MDL Number: MFCD00005062 InChI Key: CHADEQDQBURGHL-UHFFFAOYSA-N Synonym: fluorescein diacetate,3,6-diacetoxyfluoran,diacetylfluorescein,di-o-acetylfluorescein,fluorescein, diacetate,3',6'-diacetylfluorescein,unii-yl39r93pre,yl39r93pre,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 3',6'-bis acetyloxy,3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-3',6'-diyl diacetate PubChem CID: 65047 IUPAC Name: (6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3

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Specifications

PubChem CID	65047
CAS	596-09-8
Molecular Weight (g/mol)	416.39
MDL Number	MFCD00005062
SMILES	CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3
Synonym	fluorescein diacetate,3,6-diacetoxyfluoran,diacetylfluorescein,di-o-acetylfluorescein,fluorescein, diacetate,3',6'-diacetylfluorescein,unii-yl39r93pre,yl39r93pre,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 3',6'-bis acetyloxy,3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-3',6'-diyl diacetate
IUPAC Name	(6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
InChI Key	CHADEQDQBURGHL-UHFFFAOYSA-N
Molecular Formula	C₂₄H₁₆O₇

Bathocuproinedisulfonic acid, disodium salt hydrate, 97%

CAS: 1257642-74-2 Molecular Formula: C26H18N2Na2O6S2 Molecular Weight (g/mol): 564.54 MDL Number: MFCD00149974 InChI Key: RNGKZLRAVYPLJC-UHFFFAOYSA-L Synonym: disodium bathocuproinedisulfonate,sodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,bathocuproinedisulfonic acid sodium salt,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate disodium salt,dipotassium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate PubChem CID: 15678335 IUPAC Name: disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate SMILES: [Na+].[Na+].CC1=NC2=C(C=CC3=C2N=C(C)C(=C3C2=CC=CC=C2)S([O-])(=O)=O)C(C2=CC=CC=C2)=C1S([O-])(=O)=O

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Specifications

PubChem CID	15678335
CAS	1257642-74-2
Molecular Weight (g/mol)	564.54
MDL Number	MFCD00149974
SMILES	[Na+].[Na+].CC1=NC2=C(C=CC3=C2N=C(C)C(=C3C2=CC=CC=C2)S([O-])(=O)=O)C(C2=CC=CC=C2)=C1S([O-])(=O)=O
Synonym	disodium bathocuproinedisulfonate,sodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,bathocuproinedisulfonic acid sodium salt,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate disodium salt,dipotassium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate
IUPAC Name	disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate
InChI Key	RNGKZLRAVYPLJC-UHFFFAOYSA-L
Molecular Formula	C26H18N2Na2O6S2

N-Ethylmaleimide, 99+%

CAS: 128-53-0 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD00005509 InChI Key: HDFGOPSGAURCEO-UHFFFAOYSA-N Synonym: n-ethylmaleimide,ethylmaleimide,1-ethyl-1h-pyrrole-2,5-dione,maleimide, n-ethyl,1h-pyrrole-2,5-dione, 1-ethyl,maleic acid n-ethylimide,nem,usaf b-121,unii-o3c74acm9v,maleic acid-n-ethylimide PubChem CID: 4362 ChEBI: CHEBI:44485 IUPAC Name: 1-ethylpyrrole-2,5-dione SMILES: CCN1C(=O)C=CC1=O

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Specifications

PubChem CID	4362
CAS	128-53-0
Molecular Weight (g/mol)	125.127
ChEBI	CHEBI:44485
MDL Number	MFCD00005509
SMILES	CCN1C(=O)C=CC1=O
Synonym	n-ethylmaleimide,ethylmaleimide,1-ethyl-1h-pyrrole-2,5-dione,maleimide, n-ethyl,1h-pyrrole-2,5-dione, 1-ethyl,maleic acid n-ethylimide,nem,usaf b-121,unii-o3c74acm9v,maleic acid-n-ethylimide
IUPAC Name	1-ethylpyrrole-2,5-dione
InChI Key	HDFGOPSGAURCEO-UHFFFAOYSA-N
Molecular Formula	C6H7NO2

Barbituric acid, 99%

CAS: 67-52-7 Molecular Formula: C4H4N2O3 Molecular Weight (g/mol): 128.09 MDL Number: MFCD00006666 InChI Key: HNYOPLTXPVRDBG-UHFFFAOYSA-N Synonym: barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff PubChem CID: 6211 ChEBI: CHEBI:16294 IUPAC Name: 1,3-diazinane-2,4,6-trione SMILES: O=C1CC(=O)NC(=O)N1

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Specifications

PubChem CID	6211
CAS	67-52-7
Molecular Weight (g/mol)	128.09
ChEBI	CHEBI:16294
MDL Number	MFCD00006666
SMILES	O=C1CC(=O)NC(=O)N1
Synonym	barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff
IUPAC Name	1,3-diazinane-2,4,6-trione
InChI Key	HNYOPLTXPVRDBG-UHFFFAOYSA-N
Molecular Formula	C4H4N2O3

1,5,7-Triazabicyclo[4.4.0]dec-5-ene 98.0+%, TCI America™

CAS: 5807-14-7 Molecular Formula: C7H13N3 Molecular Weight (g/mol): 139.202 MDL Number: MFCD00043003 InChI Key: FVKFHMNJTHKMRX-UHFFFAOYSA-N Synonym: 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine, TBD PubChem CID: 79873 IUPAC Name: 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine SMILES: C1CNC2=NCCCN2C1

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Specifications

PubChem CID	79873
CAS	5807-14-7
Molecular Weight (g/mol)	139.202
MDL Number	MFCD00043003
SMILES	C1CNC2=NCCCN2C1
Synonym	1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine, TBD
IUPAC Name	3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
InChI Key	FVKFHMNJTHKMRX-UHFFFAOYSA-N
Molecular Formula	C7H13N3

Cyanuric chloride, 99%

CAS: 108-77-0 Molecular Formula: C3Cl3N3 Molecular Weight (g/mol): 184.40 MDL Number: MFCD00006046 InChI Key: MGNCLNQXLYJVJD-UHFFFAOYSA-N Synonym: cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine PubChem CID: 7954 ChEBI: CHEBI:58964 SMILES: ClC1=NC(Cl)=NC(Cl)=N1

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Specifications

PubChem CID	7954
CAS	108-77-0
Molecular Weight (g/mol)	184.40
ChEBI	CHEBI:58964
MDL Number	MFCD00006046
SMILES	ClC1=NC(Cl)=NC(Cl)=N1
Synonym	cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine
InChI Key	MGNCLNQXLYJVJD-UHFFFAOYSA-N
Molecular Formula	C3Cl3N3

Creatinine, 98%

CAS: 60-27-5 Molecular Formula: C₄H₇N₃O Molecular Weight (g/mol): 113.12 InChI Key: DDRJAANPRJIHGJ-UHFFFAOYSA-N Synonym: creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu PubChem CID: 588 ChEBI: CHEBI:16737 IUPAC Name: 2-amino-3-methyl-4H-imidazol-5-one SMILES: CN1CC(=O)N=C1N

Pricing & Availability
Specifications

PubChem CID	588
CAS	60-27-5
Molecular Weight (g/mol)	113.12
ChEBI	CHEBI:16737
SMILES	CN1CC(=O)N=C1N
Synonym	creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu
IUPAC Name	2-amino-3-methyl-4H-imidazol-5-one
InChI Key	DDRJAANPRJIHGJ-UHFFFAOYSA-N
Molecular Formula	C₄H₇N₃O

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Organoheterocyclic compounds

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1,5,7-Triazabicyclo[4.4.0]dec-5-ene 98.0+%, TCI America™ Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

1,5,7-Triazabicyclo[4.4.0]dec-5-ene 98.0+%, TCI America™