Basic information
- CAS
3081-61-6- Standard SMILES
CCNC(=O)CC[C@H]([NH3+])C(=O)[O-]- InChIKey
DATAGRPVKZEWHA-YFKPBYRVSA-N- Molecular formula
- C7H14N2O3
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.10044231
Overview
N(5)-ethyl-L-glutamine zwitterion is an amino acid zwitterion of N5-ethyl-L-glutamine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It has a role as a plant metabolite. It is a tautomer of a N(5)-ethyl-L-glutamine.
Names & identifiers
- Preferred name
- gamma-Glutamylethylamide
- IUPAC
- (2S)-2-azaniumyl-5-(ethylamino)-5-oxopentanoate
- English name
- L-Theanine
- Molecular formula
- C7H14N2O3
- Molecular weight
- 174.2
Names & synonyms
N5-ethylglutaminetheanine zwitteriongamma-glutamylethylamidegamma-glutamyl-ethylamideCHEBI:58128N(5)-ethyl-L-glutamine zwitterion2-Azaniumyl-4-(ethylcarbamoyl)butanoatetheanineN5-Ethyl-L-glutamineN-Ethyl-L-glutamineTheaninSUNTHEANINE
Show more names
L-Theanine 3081-61-6N-GAMMA-ETHYL-L-GLUTAMINETHEABFITlcdt
Database identifiers
- CAS
3081-61-6- PubChem CID
- 25201220
- ChEBI
CHEBI:58128
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
Melting Point217 - 218 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 207 °C · 207°C
- Boiling point
- 430.2 · 430.2±40.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- refractive index
- 8 ° · 8 ° (C=5, H2O)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in Water (up to 20 mg/ml).
- pka
- 2.24 · 2.24±0.10(Predicted)
- form
- powder
- color
- White
- Odor
- Odorless
- Water Solubility
- almost transparency
- Henry's Law Constant
- 1.1 · 1.1×1010 mol/(m3Pa) at 25℃, HSDB (2015)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 29241990
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 28-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P280-P302+P352
- Hazardous Substances Data
- 3081-61-6(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
DescriptionL-Theanine is the major amino acid found in Camellia sinensis, the source of green tea. It is an analog of the excitatory neurotransmitter, glutamate, and thusly, binds to glutamate receptors. L-Theanine can antagonize various glutamate receptor subtypes as well as inhibit glutamine and glutamate transporters, which has been shown to be neuroprotective in animal models of focal cerebral ischemia. Further, L-theanine is reported to increase brain levels of dopamine, serotonin, GABA, nerve growth factor, and brain-derived neurotrophic factor.
UsesA non-protein amino acid mainly found naturally in the green tea plant. It may have activity in modulating the metabolism of cancer chemotherapeutics agents.
UsesL-Theanine is a safe and non-toxic photogenic food supplement.It has been studied as a food additive and functional food in relation to human nutrition. It has noticeable bioactivities including anti-cerebral ischemia-reperfusion injury, stress-reducing, antitumor, anti-aging, and anti-anxiety activities.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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