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133825-81-7

Name PD 132301-2
CAS 133825-81-7
Molecular Formula C27H40ClN3O
MDL Number MFCD00899568
Molecular Weight 458.09
MOL File 133825-81-7.mol

Chemical Properties

storage temp.  4°C, away from moisture
solubility  DMSO : 41.67 mg/mL (90.97 mM; Need ultrasonic)| (insoluble)
form  Solid
color  White to off-white
Water Solubility  Water : < 0.1 mg/mL (ultrasonic;warming;heat to 60°C)
InChI 1S/C27H39N3O.ClH/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6;/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31);1H
InChIKey SDOOGTHIDFZUNM-UHFFFAOYSA-N
SMILES [Cl-].N(C)(C)c1ccc(cc1)C3(CCCC3)CNC(=O)Nc2c(cccc2C(C)C)C(C)C.[H+]

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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