Phenylalanine (data page)

OrganicBox complete
-------------- GENERAL ----------------
wiki_name=Phenylalanine


name=2-Amino-3-phenyl-propanoic acid
C=9 |H=11 |N=1 |O=2
mass=165.19
abbreviation=F, Phe
synonyms=alpha-Amino-beta-phenylpropionic acid
(2R)-2-amino-3-phenylpropanoic acid
(2S)-2-amino-3-phenylpropanoic acid
--------------DATABASES ----------------
SMILES=C1=CC=C(C=C1)CC(C(=O)O)N
InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h11H
CAS=673-06-3 (D), 63-91-2(L), 150-30-1 (DL)
DrugBank=
EINECS=
211-603-5 ref_N|1|a, 200-568-1 (D), 205-756-7 (L)
PubChem=
994 ref_N|2|a, 71567 (D) ref_N|3|a 6140 (L) ref_N|4|a
-------- Structure and properties -------
index_of_refraction=
abbe_number=
dielectric_constant=
magnetic_susceptibility=
-------------- Spectral data --------------
lambda_max=
extinction_coefficient=
absorption_bands=
proton_NMR=
carbon_NMR=
other_NMR=
mass_spectrometry=
-------- Phase behaviour -------
triple_point_K=
triple_point_C=
triple_point_Pa=
criticle_point_K=
criticle_point_C=
criticle_point_Pa=
delta_fus_H_o=
delta_fus_S_o=
delta_vap_H_o=
delta_vap_S_o=
------- Solid properties -------
delta_f_H_o=
S_o_solid=
heat_capacity_solid=
density_solid=1.29
melting_point_C=283
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=-1.496
isoelectric_point=5.5
disociation_constant=2.20, 9.09
tautomers=
H_bond_donor=2
H_bond_acceptor=3

References

#note_N|1|a EINECSLink|200-568-1 (phenylalanine)
#note_N|2|a PubChemLink|994 (phenylalanine)
#note_N|3|a PubChemLink|71567 (D-phenylalanine)
#note_N|4|a PubChemLink|6140 (L-phenylalanine)