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58160-95-5

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Basic Information
CAS No.: 58160-95-5
Name: Propargylglycine
Article Data: 4
Molecular Structure:
Molecular Structure of 58160-95-5 (Propargylglycine)
Formula: C5H7NO2
Molecular Weight: 113.116
Synonyms: Glycine,N-2-propynyl- (9CI);N-Propargylglycine;NSC 692226;Propargylglycine;
Density: 1.15 g/cm3
Melting Point: 243 °C (decomp)
Boiling Point: 273.5 °C at 760 mmHg
Flash Point: 119.2 °C
PSA: 49.33000
LogP: -0.31530
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Specification

The Glycine,N-2-propyn-1-yl-, with the CAS registry number 58160-95-5, is also known as N-propargylglycine. This chemical's molecular formula is C5H7NO2 and molecular weight is 113.11458. Its IUPAC name is called 2-(prop-2-ynylamino)acetic acid.

Physical properties of Glycine,N-2-propyn-1-yl-: (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)Index of Refraction: 1.485; (12)Molar Refractivity: 28.2 cm3; (13)Molar Volume: 98.2 cm3; (14)Surface Tension: 48.8 dyne/cm; (15)Density: 1.15 g/cm3; (16)Flash Point: 119.2 °C; (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)Canonical SMILES: C#CCNCC(=O)O
(2)InChI: InChI=1S/C5H7NO2/c1-2-3-6-4-5(7)8/h1,6H,3-4H2,(H,7,8)
(3)InChIKey: XSJLQGMTIHCDSS-UHFFFAOYSA-N