Ethyl 2-(benzylamino)acetate HCl is a glycine analogue.

Physicochemical Properties

Molecular Formula	C11H16CLNO2
Molecular Weight	229.70
Exact Mass	229.087
CAS #	6344-42-9
PubChem CID	2724714
Appearance	White to off-white solid powder
Boiling Point	277ºC at 760 mmHg
Melting Point	96-100ºC
Flash Point	121.3ºC
LogP	2.532
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	15
Complexity	165
Defined Atom Stereocenter Count	0
SMILES	Cl[H].O(C([H])([H])C([H])([H])[H])C(C([H])([H])N([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O
InChi Key	ZYCCGXGBRHRRLQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10;/h3-7,12H,2,8-9H2,1H3;1H
Chemical Name	ethyl 2-(benzylamino)acetate;hydrochloride
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
References	[1]. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (217.68 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (10.88 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.3535 mL	21.7675 mL	43.5350 mL
	5 mM	0.8707 mL	4.3535 mL	8.7070 mL
	10 mM	0.4354 mL	2.1768 mL	4.3535 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.