Alanine (data page)

OrganicBox complete
wiki_name=Alanine
name=("S")-2-aminopropanoic acid
= GENERAL INFORMATION =

C=3 | H=7 | N=1 | O=2
mass=89.1
abbreviation=A, Ala


synonyms=2-aminopropanoic acid
{α/2}-aminopropionic acid
AIDS{-}071780
HSDB 1801
NSC 206315
= DATABASES =

SMILES=N [C@@] ( [H] )(C)C(O)=O
InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/f/h5H
CAS=338-69-2 (D), 56-41-7 (L)
DrugBank=
EINECS=
206-418-1 (D)ref_N|1|a, 200-273-8 (L)ref_N|2|a
PubChem=602 (D)ref_N|3|a, 5950 (L)ref_N|4|a
= PHYSICAL PROPERTIES =

--------------- Structure -------------
index_of_refraction=
abbe_number=
dielectric_constant=
magnetic_susceptibility=
dipole_moment=
------------- U-V data --------------
lambda_max=
extinction_coefficient=
------------- Infrared data --------------
absorption_bands=
------------- NMR data --------------
proton_NMR=
carbon_NMR=
other_NMR=
------------- Spectrometry data --------------
mass_spectrometry=
-------- Phase behaviour -------
delta_fus_H_o=
delta_fus_S_o=
delta_vap_H_o=
delta_vap_S_o=
triple_point_K=
triple_point_C=
triple_point_Pa=
criticle_point_K=
criticle_point_C=
criticle_point_Pa=
------- Solid properties -------
delta_f_H_o_solid=
S_o_solid=
heat_capacity_solid=
density_solid=1.401
melting_point_C=297
melting_point_F=
melting_point_K=
------- Liquid properties -------
delta_f_H_o_liquid=
S_o_liquid=
heat_capacity_liquid=
density_liquid=
viscosity_liquid=
boiling_point_C=
boiling_point_F=
boiling_point_K=
------------- Gas properties --------------
delta_f_H_o_gas=
S_o_gas=
heat_capacity_gas=
viscosity_gas=
= HAZARD PROPERTIES =

MSDS=
main_hazards=
nfpa_health=
nfpa_flammability=
nfpa_reactivity=
nfpa_special=
flash_point=
r_phrases=
s_phrases=
RTECS_number=
= CHEMICAL PROPERTIES =

XLogP=-2.912
isoelectric_point=6.00
disociation_constant=2.33, 9.71
tautomers=
H_bond_donor=2
H_bond_acceptor=3
= PHARMACOLOGICAL PROPERTIES =

References

#note_N|1|a EINECS|206-418-1|EINECS for D-alanine
#note_N|2|a EINECS|200-273-8|EINECS for L-alanine
#note_N|3|a PubChem|602
#note_N|4|a PubChem|5950