Basic information
- CAS
19230-81-0- Standard SMILES
CN1CC(=O)N=C1N.Cl- InChIKey
PJYONPGZTHDDJM-UHFFFAOYSA-N- Molecular formula
- C4H8ClN3O
- Average molar mass
- 149.58 g/mol
- Monoisotopic mass
- 149.0355896
Names & identifiers
- Preferred name
- Creatinine hydrochloride
- IUPAC
- 2-amino-3-methyl-4H-imidazol-5-one;hydrochloride
- English name
- Creatinine hydrochloride
- Molecular formula
- C4H8ClN3O
- Molecular weight
- 149.58
Names & synonyms
Creatinine hydrochloride19230-81-0EINECS 242-898-9DTXSID40664682-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-one, monohydrochlorideRefChem:579401DTXCID20360392Amino1methyl2imidazolin4one hydrochloride2Imino1methylimidazolidin4one hydrochloride2Amino1,5dihydro1methyl4Himidazol4one, monohydrochloride4HImidazol4one, 2amino1,5dihydro1methyl, monohydrochloride4HImidazol4one, 2amino1,5dihydro1methyl, hydrochloride (1:1)
Show more names
Creatinine hydrochloride saltCreatinine hydrochloride >=97%2-AMINO-1-METHYL-2-IMIDAZOLIN-4-ONECREATININE HYDROCHLORIDE CRYSTALLINE1-METHYLGLYCOCYAMIDINE HYDROCHLORIDE1-METHYLHYDANTOIN-2-IMIDE HYDROCHLORIDE13C3,2H3]-Creatinine hydrochloride salt
242-898-92-Imino-1-methylimidazolidin-4-one hydrochloride4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, hydrochloride (1:1)4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, monohydrochlorideCREATININE HCL2-Amino-1-methyl-1,5-dihydro-4H-imidazol-4-one hydrochloride2-amino-3-methyl-4H-imidazol-5-one;hydrochlorideSMR000875220
Database identifiers
- CAS
19230-81-0- PubChem CID
- 87972
- DTXSID
DTXSID4066468- ChEMBL
CHEMBL1518203- EC Number
- 242-898-9
Properties
Computed structural properties
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Other Biomolecules
Solubility>22.4 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 283 · 283-285 °C (decomp)
- storage temp.
- Store at RT.
- form
- powder
- color
- White powder
- InChI
- 1S/C4H7N3O.ClH/c1-7-2-3(8)6-4(7)5;/h2H2,1H3,(H2,5,6,8);1H
- InChIKey
- PJYONPGZTHDDJM-UHFFFAOYSA-N
- SMILES
- Cl.CN1CC(=O)NC1=N
- CAS DataBase Reference
- 19230 · 19230-81-0(CAS DataBase Reference)
- EPA Substance Registry System
- 4 H-Imidazol-4-one, · 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, monohydrochloride (19230-81-0)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, hydrochloride (1:1): ACTIVE
Applications
UsesReactant for:Catalytic hydrogenation of acylguanidinesStrong binding of alkylguanidinium ions by molecular tweezers for a selective arginine receptor moleculeInvestigations of drug distribution in the body after oral administration to rats
Suppliers29 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
斯百全化学（上海）有限公司
Related reactions
1 records
Compound notes
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