13485-59-1

Name L-Alanyl-L-proline
CAS 13485-59-1
EINECS(EC#) 236-795-8
Molecular Formula C8H14N2O3
MDL Number MFCD00037332
Molecular Weight 186.21
MOL File 13485-59-1.mol
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Chemical Properties

Melting point  170-178 °C
Boiling point  403.8±40.0 °C(Predicted)
density  1.294±0.06 g/cm3(Predicted)
refractive index  -112 ° (C=2, H2O)
storage temp.  −20°C
solubility  Methanol (Slightly), Water (Slightly)
form  Solid
pka 3.19±0.20(Predicted)
color  White to Off-White
Optical Rotation -104.6°(C=1.16g/100mL , H2O, 20°C, 589nm)
Water Solubility  within almost transparency
BRN  3546017
InChI 1S/C8H14N2O3.H2O/c1-5(9)7(11)10-4-2-3-6(10)8(12)13;/h5-6H,2-4,9H2,1H3,(H,12,13);1H2/t5-,6-;/m0./s1
InChIKey SSUWZOPYGFOQJA-GEMLJDPKSA-N
SMILES O.C[C@H](N)C(=O)N1CCC[C@H]1C(O)=O
CAS DataBase Reference 13485-59-1(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  3
F  10-21
HS Code  29339900
Storage Class 11 - Combustible Solids

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