6740-87-0

Name KETAMINE RELATED COMPOUND A (50 MG) (1 -[(2-CHLOROPHENYL)(METHYLIMINO)METHYL]CYLCOPENTA-NOL)
CAS 6740-87-0
EINECS(EC#) 641-894-8
Molecular Formula C13H16ClNO
MDL Number MFCD19303052
Molecular Weight 237.73
MOL File 6740-87-0.mol
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Chemical Properties

Melting point  64-65 °C
Boiling point  347.3±42.0 °C(Predicted)
density  1.18±0.1 g/cm3(Predicted)
vapor pressure  0.03-0.061Pa at 20-25℃
storage temp.  2-8°C
form  neat
pka 13?+-.0.20(Predicted)
Major Application pharmaceutical small molecule
InChI InChI=1S/C13H16ClNO/c1-15-12(13(16)8-4-5-9-13)10-6-2-3-7-11(10)14/h2-3,6-7,16H,4-5,8-9H2,1H3
InChIKey FJGPXUPMNZOTLX-UHFFFAOYSA-N
SMILES C1(C(C2=CC=CC=C2Cl)=NC)(O)CCCC1
LogP 3.2 at pH7

Safety Data

Symbol(GHS)  Corrosion (GHS05)Environment (GHS09)
GHS05,GHS09
Signal word  Danger
Hazard statements  H318-H411
Precautionary statements  P280-P305+P351+P338-P310
WGK Germany  WGK 3
REACH Registrations Active
HS Code  2925294500
Storage Class 11 - Combustible Solids

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