496-65-1

Name (R)-2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutyramide
CAS 496-65-1
EINECS(EC#) 207-824-1
Molecular Formula C11H22N2O4S
MDL Number MFCD00056757
Molecular Weight 278.368
MOL File 496-65-1.mol
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Chemical Properties

Appearance slight yellow to colorless liquid
alpha  D20 +12.9° (c = 4.5 in water)
Boiling point  635.0±55.0 °C(Predicted)
density  1.202±0.06 g/cm3(Predicted)
storage temp.  ?20°C
solubility  Methanol (Slightly), Water (Slightly)
form  Oil
pka 9.75±0.10(Predicted)
color  Pale Yellow to Light Yellow
Optical Rotation [α]/D 17±2°, c = 1 in H2O
BRN  1714196
InChI InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1
InChIKey ZNXZGRMVNNHPCA-VIFPVBQESA-N
SMILES C(NCCC(NCCS)=O)(=O)[C@H](O)C(C)(C)CO

Safety Data

Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids
Toxicity
LD50 intraperitoneal in mouse: 440mg/kg

Hazard Information

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