L-Theanine
Properties
- Molecular formula
- C7H14N2O3
- Molar mass
- 174.20 g/mol
- Exact mass
- 174.1004 Da
- Melting point
- 217–218 °C (decomposes)
- Boiling point
- 214–216 °C
- logP
- 0.15Crippen estimate
- Polar surface area
- 95.9 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 5
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H317 May cause an allergic skin reaction99.5% of notifiers
Aggregated from 206 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501
Identifiers
CAS number
3081-61-6SMILES
CCN=C(O)CC[C@H](N)C(=O)OInChIKey
DATAGRPVKZEWHA-YFKPBYRVSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- L-Glutamine, N-ethyl-
- Glutamine, N-ethyl-, L-
- N-Ethyl-L-glutamine
- Theanine
- Theanin
- Suntheanine
- NSC 21308
- Nγ-Ethyl-L-glutamine
- Suntheanine CG 100
- (2S)-2-Amino-4-(ethylcarbamoyl)butanoic acid
- (2S)-2-Azaniumyl-5-(ethylamino)-5-oxopentanoate
- (S)-2-Amino-5-(ethylamino)-5-oxopentanoic acid
Work with L-Theanine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
N-Lauroyl-L-lysine52315-75-056 % similar
D-Norvaline2013-12-954 % similar
Norvaline6600-40-454 % similar
(±)-Norvaline760-78-154 % similar
Poly(L-glutamic acid)25513-46-653 % similar
Glutamic acid56-86-053 % similar
Glutamic acid617-65-253 % similar
(-)-Glutamic acid6893-26-153 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds