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CAS No.: | 87205-47-8 |
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Name: | D-Propargylglycine |
Molecular Structure: | |
Formula: | C5H7NO2 |
Molecular Weight: | 149.577 |
Synonyms: | D-Propargyl Glycine;N-Prop-2-yn-1-ylglycine;N-2-Propyn-1-ylglycine;glycine, N-2-propyn-1-yl-;D,L-Propargylglycine;(2-Propyn-1-ylamino)acetic acid; |
Density: | 1.15 g/cm3 |
Boiling Point: | 273.5 °C at 760 mmHg |
Flash Point: | 119.2 °C |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 63.32000 |
LogP: | 0.92390 |
The CAS register number of D-Propargylglycine is 87205-47-8. It also can be called as (2-Propyn-1-ylamino)acetic acid and the systematic name about this chemical is N-prop-2-yn-1-ylglycine. The molecular formula about this chemical is C5H7NO2 and the molecular weight is 113.11. It belongs to the Amino Acids.
Physical properties about are: (1)ACD/LogP: -0.12; (2)ACD/LogD (pH 5.5): -2.57; (3)ACD/LogD (pH 7.4): -2.71; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54Å2; (12)Index of Refraction: 1.485; (13)Molar Refractivity: 28.2 cm3; (14)Molar Volume: 98.2 cm3; (15)Polarizability: 11.17x10-24cm3; (16)Surface Tension: 48.8 dyne/cm; (17)Enthalpy of Vaporization: 56.34 kJ/mol; (18)Boiling Point: 273.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00158 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CNCC#C
(2)InChI: InChI=1/C5H7NO2/c1-2-3-6-4-5(7)8/h1,6H,3-4H2,(H,7,8)
(3)InChIKey: XSJLQGMTIHCDSS-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H7NO2/c1-2-3-6-4-5(7)8/h1,6H,3-4H2,(H,7,8)
(5)Std. InChIKey: XSJLQGMTIHCDSS-UHFFFAOYSA-N