4171-13-5

Name valnoctamide
CAS 4171-13-5
EINECS(EC#) 224-033-7
Molecular Formula C8H17NO
MDL Number MFCD00868184
Molecular Weight 143.23
MOL File 4171-13-5.mol

Chemical Properties

Appearance Crystalline Solid
Melting point  113.5-1140C
Boiling point  261.35°C (rough estimate)
density  0.9636 (rough estimate)
refractive index  1.4614 (estimate)
storage temp.  Refrigerator
solubility  DMSO: soluble20mg/mL, clear
form  powder
pka 16.81±0.50(Predicted)
color  white to off-white
Water Solubility  8.70g/L(temperature not stated)
InChI 1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKey QRCJOCOSPZMDJY-UHFFFAOYSA-N
SMILES CCC(C)C(CC)C(N)=O

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  3
RTECS  YV5950000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Toxicity
LD50 oral in rat: 760mg/kg

Hazard Information

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