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N-(4-Aminobenzoyl)-beta-alanine Structure

N-(4-Aminobenzoyl)-beta-alanine

Chemical Properties

Melting point 152-154 °C(lit.)
Boiling point 347.41°C (rough estimate)
Density  1.2420 (rough estimate)
vapor pressure  0Pa at 20℃
refractive index  1.4830 (estimate)
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
solubility  DMSO, Methanol (Slightly), Water (Slightly, Heated)
form  Solid
pka 4.36±0.10(Predicted)
color  White to Off-White
InChI InChI=1S/C10H12N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)
InChIKey VHAXWROFYVPXMZ-UHFFFAOYSA-N
SMILES C1(C=CC(N)=CC=1)C(=O)NCCC(=O)O
LogP -1.19 at 25℃ and pH7.5
Surface tension 71.6mN/m at 1g/L and 20℃
CAS DataBase Reference 7377-08-4(CAS DataBase Reference)
FDA UNII AB85LJQ945

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  3
HS Code  2924.29.7790
NFPA 704:
1
2 0

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N-(4-Aminobenzoyl)-beta-alanine Chemical Properties,Usage,Production

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