L-Theanine

Catalog	BBC3081616
CAS	3081-61-6
Structure
Synonyms	N-Ethyl-L-glutamin
IUPAC Name	(2S)-2-Amino-5-(ethylamino)-5-oxopentanoic acid
Molecular Weight	174.2
Molecular Formula	C7H14N2O3
Canonical SMILES	CCNC(=O)CCC(C(=O)O)N
InChI	InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChI Key	DATAGRPVKZEWHA-YFKPBYRVSA-N
Boiling Point	430.2±40.0 °C
Melting Point	207 °C
Flash Point	212.1 °C
Purity	98%
Density	1.171±0.06 g/cm³
Solubility	Insoluble in ethanol, ether
Appearance	White powder
Storage	2-8 °C
pH	5-6
pKa	2.24±0.10(Predicted)
Refractive Index	8 ° (C=5, H2O)