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96441-14-4

Name Labetalone hydrochloride
CAS 96441-14-4
EINECS(EC#) 200-227-7
Molecular Formula C19H22N2O3.ClH
MDL Number MFCD00007968
Molecular Weight 362.86
MOL File 96441-14-4.mol
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Chemical Properties

Melting point  125-128 °C(lit.)
Boiling point  523.92℃[at 101 325 Pa]
storage temp.  Store at -20°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
Water Solubility  28.61mg/L at 25℃
Major Application pharmaceutical (small molecule)
InChI 1S/C19H22N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24);1H
InChIKey DJHFVUYXWAEVRA-UHFFFAOYSA-N
SMILES Cl.N(C(CCc2ccccc2)C)CC(=O)c1cc(c(cc1)O)C(=O)N
LogP 3.58

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  1
RTECS  CU8700000
Storage Class 11 - Combustible Solids

Hazard Information

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