Basic information
- CAS
35404-50-3- Standard SMILES
NC1=NCCN1CC(=O)O- InChIKey
AMHZIUVRYRVYBA-UHFFFAOYSA-N- Molecular formula
- C5H9N3O2
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.06947654
Overview
Cyclocreatine is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
Names & identifiers
- Preferred name
- Cyclocreatine
- IUPAC
- 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid
- English name
- CYCLOCREATINE
- Molecular formula
- C5H9N3O2
- Molecular weight
- 143.14
Names & synonyms
cyclocreatine35404-50-31-Carboxymethyl-2-iminoimidazolidine2-Imino-1-imidazolidineacetic acidNSC-7079616732XGX1RKAM-285DTXSID701888891-CARBOXYMETHYL-2-IMINO-IMIDAZOLIDINERefChem:129431DTXCID801113802-(2-Iminoimidazolidin-1-yl)acetic acid
Show more names
2-imino-1-imidazolinolinic acid1-Carboxymethyl-2-iminoimidazolidin2-Imino-1-imidazolidineacetic acid 98%2-(2-iminoimidazolidine-1-yl)acetic acid2-Amino-4,5-dihydro-1H-Imidazole-1-acetic Acid
2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid1H-Imidazole-1-aceticacid, 2-amino-4,5-dihydro-MFCD00134455(2-iminoimidazolidin-1-yl)acetic acidNSC7079612-(2-amino-4,5-dihydro-1H-imidazol-1-yl)acetic acid1H-Imidazole-1-acetic acid,5-dihydro-UNII-6732XGX1RK
Database identifiers
- CAS
35404-50-3- PubChem CID
- 2896
- DTXSID
DTXSID70188889
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
Collision Cross Section
124.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
129.76 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 322 · 322-326C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 1 M · 1 M HCl: soluble25mg/mL, clear, colorless
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)
- InChIKey
- AMHZIUVRYRVYBA-UHFFFAOYSA-N
- SMILES
- C1(N)N(CC(O)=O)CCN=1
- CAS DataBase Reference
- 35404 · 35404-50-3(CAS DataBase Reference)
- FDA UNII
- 6732 XGX1RK · 6732XGX1RK
- UNSPSC Code
- 12352100 · 12352100
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 Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2940000080
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Applications
UsesCyclocreatine is used to regulate creatine biosynthesis by suppressing the level of arginine:glycine amidinotransferase in chick liver.
UsesCan regulate creatine biosynthesis by suppressing the level of arginine:glycine amidinotransferase in chick liver
Suppliers52 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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