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Creatine ethyl ester hydrochloride

Creatine ethyl ester hydrochloride ??? ???
?? ??:
15366-32-2
???:
Creatine ethyl ester hydrochloride
???(??):
CREATINE ETHYL ESTER HCL(SH);CREATINE ETHYL ESTER HCL (P);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)
CBNumber:
CB3825372
???:
C6H14ClN3O2
??? ??:
195.65
MOL ??:
15366-32-2.mol

Creatine ethyl ester hydrochloride ??

???
162-165°C
?? ??
under inert gas (nitrogen or Argon) at 2-8°C
??
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
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.

Creatine ethyl ester hydrochloride C??? ??, ??, ??

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).
Creatine ethyl ester hydrochloride synthesis

Creatine ethyl ester hydrochloride ?? ?? ? ???

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Creatine ethyl ester hydrochloride ?? ??

???( 209)?? ??
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Creatine ethyl ester hydrochloride ?? ??:

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