H-Ala-betana Structure

H-Ala-betana

Chemical Properties

Boiling point 450.1±28.0 °C(Predicted)
Density  1.209±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  ethanol: 50mg/mL, clear to slightly hazy
form  powder
pka 14.13±0.30(Predicted)
InChI 1S/C13H14N2O/c1-9(14)13(16)15-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKey RQHPADKWNYTHOH-VIFPVBQESA-N
SMILES C[C@H](N)C(=O)Nc1ccc2ccccc2c1
CAS DataBase Reference 720-82-1(CAS DataBase Reference)
UNSPSC Code 12352204
NACRES NA.83

Safety

Symbol(GHS) Health Hazard (GHS08)
Signal wordDanger
Hazard statements H350
WGK Germany  3
HS Code  2924297099
Storage Class 11 - Combustible Solids

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