Adiphenine hydrochloride Structure

Adiphenine hydrochloride

Chemical Properties

Melting point 113-114°
Density  1.0555 (rough estimate)
refractive index  1.5400 (estimate)
storage temp.  Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly), Water (Very Slightly)
form  Solid
color  White
Merck  14,161
InChI InChI=1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKey LKPINBXAWIMZCG-UHFFFAOYSA-N
SMILES C(C(=O)OCCN(CC)CC)(C1=CC=CC=C1)C1=CC=CC=C1.Cl
CAS DataBase Reference 50-42-0(CAS DataBase Reference)
FDA UNII 42B4PDY0AV

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302+H312+H332
Precautionary statements P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Hazard Codes  Xn
Risk Statements  20/21/22
Safety Statements  36
WGK Germany  3
RTECS  AH2625000
HS Code  2922.19.7000
Toxicity LD50 i.p. in mice: 0.24 g/kg (Burtner, Cusic)
NFPA 704:
0
3 0

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