7377-08-4

Name N-(4-Aminobenzoyl)-beta-alanine
CAS 7377-08-4
EINECS(EC#) 616-017-7
Molecular Formula C10H12N2O3
MDL Number MFCD00009805
Molecular Weight 208.21
MOL File 7377-08-4.mol
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Chemical Properties

Appearance white to light orange-brown crystalline powder
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)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
HS Code  2924.29.7790
REACH Registrations Active

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