| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 9 | Yes |
Popular Name: Creatine Creatine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17050-09-8 , 284664-86-4 , 55965-97-4 , 57-00-1 , 6020-87-7 , 922-32-7 , [57-00-1] , [6020-87-7]
(alpha-Methylguanido)acetic acid
(N-methylcarbamimidamido)acetate; N-[amino(imino)methyl]-N-methylglycinate
2-(1-Methylguanidino)acetic acid
2-(1-Methylguanidino)acetic acid hydrate
2-(1-Methylguanidino)acetic acid hydrochloride
57-00-1; C00300; Creatine; Methylglycocyamine; alpha-Methylguanidino acetic acid
CHEBI:41678; CHEBI:23404; CHEBI:14028; CHEBI:3909
Creatine-(methyl-d3)monohydrate
N-Amidinosarcosine monohydrate
N-carbamimidoyl-N-methylglycine
Sodium 2-(1-methylguanidino)acetate hydrogenphosphate tetrahydrate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.25 | -1.63 | -41.1 | 4 | 5 | 0 | 94 | 131.135 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 292 | Acros Organics |
| MP | 295°(dec.) | Oakwood Chemical |
| ALOGPS_SOLUBILITY | 4.11e+00 g/l | DrugBank-nutriceuticals |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| Melting_Point | ca 290? dec. | Alfa-Aesar |
| Melting_Point | ca 290° dec. | Alfa-Aesar |
| Melting_Point | ca 292? dec. | Alfa-Aesar |
| Melting_Point | ca 292° dec. | Alfa-Aesar |
| UniProt Database Links | CAV3_HUMAN; CREA_BACB0; CREA_FLASU; CREA_PSEPU; CRNA_PSEPU; DPM1_HUMAN; DPM3_HUMAN; DYSF_HUMAN; ECHMN_ECHLU; ENOB_HUMAN; FKRP_HUMAN; FKTN_HUMAN; GAMTA_XENLA; GAMTB_XENLA; GAMT_BOVIN; GAMT_DANRE; GAMT_HUMAN; GAMT_MOUSE; GAMT_RAT; GAMT_XENTR; GATM_BOVIN; GA | ChEBI |
| Patent Database Links | EP1302465; EP1685843; EP1688139; US2006135822; WO2006124494 | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Reactome Database Links | REACT_11155; REACT_11156; REACT_11191; REACT_2094 | ChEBI |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Description | Species |
|---|---|
| Creatine metabolism |
No pre-computed analogs available. Try a structural similarity search.