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2-????????

2-????????
2-???????? ??? ???
?? ??:
4335-77-7
???:
2-????????
???(??):
2-????????
???:
2-Cyclohexylmandelic acid
???(??):
Oxybutynin Impurity D;Oxybutynin Related CoMpound A;rcc32;kl-007-m1;lespedamine;-2-hydroxy-phenyL;CYCLOHEXYLMANDELIC;TIMTEC-BB SBB008619;hexahydrobenzilicacid;2-Cyclohexylmennic acid
CBNumber:
CB7472035
???:
C14H18O3
??? ??:
234.29
MOL ??:
4335-77-7.mol
MSDS ??:
SDS

2-???????? ??

???
163 °C
?? ?
135℃/3mm
??
1.206±0.06 g/cm3(Predicted)
RTECS ??
GV2770000
?? ??
-20°C Freezer
???
?????(?? ???), ???(?? ???)
??? ??
??
??? ??
??? ??
?? ?? (pKa)
3.49±0.25(Predicted)
??
???? ?? ????
InChI
1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)
InChIKey
YTRNSQPXEDGWMR-UHFFFAOYSA-N
SMILES
OC(=O)C(O)(C1CCCCC1)c2ccccc2
CAS ??????
4335-77-7(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi
?? ???? ?? 37/38-41
????? 26-39
WGK ?? 3
?? ?? IRRITANT
HS ?? 29181990
???? ??? 11 - Combustible Solids
Hazard Classifications Eye Dam. 1
Skin Irrit. 2
STOT SE 3
????(GHS): Corrosion (GHS05)Exclamation Mark (GHS07)
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H318 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 1 ?? P280, P305+P351+P338, P310
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P280 ????/???/???/?????? ?????.
NFPA 704
0
1 0

2-???????? C??? ??, ??, ??

??

This indole alkaloid occurs in the leaves of Lespedeza bicolor var. japonica and, when pure, is a colourless oil. Its MeOH solution, the ultraviolet spectrum exhibits absorption maxima at 223.4, 279 and 291 mJi. The crystalline hydrochloride has m.p. 163-4°C (dec.); the picrate forms long, yellow needles from MeOH, m.p. 160-2°C (dec.) and the styphnate, also yellow needles, has m.p. 170°C (dec.). The structure has been established as 3-(dimethylaminoethyl)-1-methoxyindole.

??? ??

White Solid

?? ??

Morimoto, Oshio., Annalen, 682, 212 (1965)

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