| Identification | Back Directory | [Name]
Creatine ethyl ester hydrochloride | [CAS]
15366-32-2 | [Synonyms]
CREATINE ETHYL ESTER HCL (P)
CREATINE ETHYL ESTER HCL(SH)
CREATINE ETHYL ESTER HYDROCHLORIDE
Creatine ethyl ester hydrochloridel
Creatine ethyl ester hydrochloride[3]
Ethyl N-carbamimidoyl-N-methylglycinate hyd
Ethyl 2-(1-Methylguanidino)acetate hydrochloride
ethyl N-carbamimidoyl-N-methylglycinate hydrochloride
Glycine, N-(aminoiminomethyl)-N-methyl-, ethyl ester,monohydrochloride
Glycine,N-(aMinoiMinoMethyl)-N-Methyl-, ethyl ester, hydrochloride (1:1) | [EINECS(EC#)]
-0 | [Molecular Formula]
C6H14ClN3O2 | [MDL Number]
MFCD08704792 | [MOL File]
15366-32-2.mol | [Molecular Weight]
195.65 |
| Chemical Properties | Back Directory | [Melting point ]
162-165°C | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C6H13N3O2.ClH/c1-3-11-5(10)4-9(2)6(7)8;/h3-4H2,1-2H3,(H3,7,8);1H | [InChIKey]
SZZVKHCNEZPXOL-UHFFFAOYSA-N | [SMILES]
C(=O)(OCC)CN(C)C(N)=N.Cl |
| Hazard Information | Back Directory | [Synthesis]
Creatine ethyl ester hydrochloride is prepared by the reaction of ethanol and creatine. The specific synthesis steps are as follows:
Phosphorochloridic acid (2.0-2.5 equivalents to creatine) was added dropwise to a suspension of creatine in 10 mL of ethanol at 0° C. The reaction mixture was stirred for 15 min at 0° C. and the temperature then raised to 60° C. and stirred for 30 min. The reaction mixture was then cooled to provide 1.7 g of the hydrochloride salt of title compound (24) (73percent yield) as a white solid. 1H NMR (CD3OD, 400 MHz): δ 4.20-4.30 (m, 4H), 3.16(s, 3H, creatinine NCH3), 3.08 (s, 3H, CBE NCH3), 1.31 (d, J=6.8 Hz), (CBE/creatinine=9:1).
 | [References]
[1] Patent: US2007/281909, 2007, A1. Location in patent: Page/Page column 53-54
[2] Patent: US2005/49428, 2005, A1. Location in patent: Page/Page column 3-4
[3] Biochemische Zeitschrift, 1925, vol. 156, p. 186
[4] Journal of Biological Chemistry, 1922, vol. 54, p. 672
[5] Patent: US2006/67880, 2006, A1. Location in patent: Page/Page column 1 |
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