5294-61-1

Name N-(2,6-Diphenylmethyl)-1-piperazine acetylamine
CAS 5294-61-1
EINECS(EC#) 610-916-8
Molecular Formula C14H21N3O
MDL Number MFCD06384973
Molecular Weight 247.34
MOL File 5294-61-1.mol

Chemical Properties

Appearance Pale Beige Solid
Melting point  110-112°C
Boiling point  411.2±45.0 °C(Predicted)
density  1.101±0.06 g/cm3(Predicted)
vapor pressure  0-0Pa at 20-25℃
storage temp.  -20°C Freezer
solubility  DMSO, Methanol
form  Crystalline Powder
pka 14.62±0.70(Predicted)
color  Light gray
Usage A metabolite of Ranolazine
Major Application pharmaceutical
InChI 1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)/p+2
InChIKey NJKRFQIWDJSYOK-UHFFFAOYSA-N
SMILES [N+H]2(CC[N+H2]CC2)CC(=O)Nc1c(cccc1C)C
LogP 0.74 at 20℃ and pH12
CAS DataBase Reference 5294-61-1(CAS DataBase Reference)

Safety Data

WGK Germany  WGK 3
REACH Registrations Active
HazardClass  IRRITANT
HS Code  2934990002
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
Skin Sens. 1B

Hazard Information

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