Valine (data page)

OrganicBox complete
wiki_name=Valine
name=(S)-2-amino-3-methyl-butanoic acid
= GENERAL INFORMATION =

C=5 | H=11 | N=1 | O=2
mass=117.15
abbreviation=V, Val


synonyms=
= DATABASES =

SMILES=CC(C)C(N)C(=O)O
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/f/h7H
CAS=72-18-4
DrugBank=
EINECS=
200-773-6 ref_N|1|a
PubChem=71563 (D)ref_N|2|a, 1182 (L)ref_N|3|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=1.230
melting_point_C=315
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=-2.193
isoelectric_point=5.96
disociation_constant=2.27, 9.52
tautomers=
H_bond_donor=2
H_bond_acceptor=3
= PHARMACOLOGICAL PROPERTIES =

References

#note_N|1|a EINECS|200-773-6|EINECS for Valine
#note_N|2|a PubChem|71563
#note_N|3|a PubChem|1182