DL-Propargylglycine

The DL-Propargylglycine, with the CAS registry number 64165-64-6, is also known as L-2-Amino-4-pentynoic acid. It belongs to the product category of Amino Acids. This chemical's molecular formula is C₅H₇NO₂ and molecular weight is 113.047678. Its IUPAC name is called 2-aminopent-4-ynoic acid. This chemical's classification code is Enzyme inhibitors.

Physical properties of DL-Propargylglycine: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -2.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.485; (13)Molar Refractivity: 28.2 cm³; (14)Molar Volume: 98.2 cm³; (15)Surface Tension: 48.8 dyne/cm; (16)Density: 1.15 g/cm³; (17)Flash Point: 119.2 °C; (18)Enthalpy of Vaporization: 56.34 kJ/mol; (19)Boiling Point: 273.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00158 mmHg at 25°C.

Uses of DL-Propargylglycine: it can be used to produce N-(tert-butoxycarbonyl)-DL-propargylglycine at temperature of 0 °C. This reaction will need reagent 1N aq. NaOH and solvent dioxane, H₂O with reaction time of 15 min. The yield is about 74.3%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#CCC(C(=O)O)N
(2)InChI: InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)
(3)InChIKey: DGYHPLMPMRKMPD-UHFFFAOYSA-N