Identification Chemical Properties Safety Data Hazard Information Supplier Related Products

1078-21-3

Name 4-Amino-3-phenylbutyric acid hydrochloride
CAS 1078-21-3
EINECS(EC#) 214-079-6
Molecular Formula C10H14ClNO2
MDL Number MFCD00456233
Molecular Weight 215.68
MOL File 1078-21-3.mol

Chemical Properties

Melting point  252.5°C (rough estimate)
Boiling point  311.75°C (rough estimate)
density  1.1248 (rough estimate)
refractive index  1.5710 (estimate)
solubility  Free base: 35 mg/mL in DMSO (195.29 mM) at 25 °C (SellekChem, 2019).Hydrochloride salt (Cayman, 2016): 25 mg/ml in DMF; 20 mg/ml in DMSO; 14 mg/ml in ethanol; 10 mg/mL in PBS (pH 7.2).
form  solid
pka 4.10±0.10(Predicted)
color  White
InChI InChI=1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)
InChIKey DAFOCGYVTAOKAJ-UHFFFAOYSA-N
SMILES C(O)(=O)CC(C1=CC=CC=C1)CN
CAS DataBase Reference 1078-21-3(CAS DataBase Reference)
EPA Substance Registry System Benzenepropanoic acid, .beta.-(aminomethyl)- (1078-21-3)

Safety Data

Hazard Codes  Xi
HazardClass  IRRITANT
HS Code  2922498590
Toxicity
TDLo orl-hmn: 5 mg/kg:CNS BEXBAN 57,52,64

Hazard Information

Supplier