Name: (RS)-(TETRAZOL-5-YL)GLYCINE
SKU: 138199-51-6

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Basic Information

Molecular Structure:
CAS No.:	138199-51-6
Name:	(RS)-(TETRAZOL-5-YL)GLYCINE

Formula:	C₃H₅N₅O₂
Molecular Weight:	143.1041
Synonyms:	Amino(1H-tetrazol-5-yl)acetic acid;
Density:	1.804 g/cm³
Boiling Point:	447.1 °C at 760 mmHg
Flash Point:	224.2 °C
PSA:	117.78000
LogP:	-1.01560

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Specification

The 2H-Tetrazole-5-aceticacid, a-amino-, with the CAS registry number of 138199-51-6, is also known as Amino(1H-tetrazol-5-yl)acetic acid. Its molecular formula is C₃H₅N₅O₂ and molecular weight is 143.1. What's more, its IUPAC name is 2-Amino-2-(2H-tetrazol-5-yl)acetic acid. It is potent NMDA receptor agonist.

Physical properties about the 2H-Tetrazole-5-aceticacid, a-amino- are: (1)ACD/LogP: -1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.64; (4)ACD/LogD (pH 7.4): -4.92; (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: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 73.14 Å²; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 29.61 cm³; (15)Molar Volume: 79.2 cm³; (16)Surface Tension: 145.5 dyne/cm; (17)Density: 1.804 g/cm³; (18)Flash Point: 224.2 °C; (19)Enthalpy of Vaporization: 74.33 kJ/mol; (20)Boiling Point: 447.1 °C at 760 mmHg; (21)Vapour Pressure: 8.91E-09 mmHg at 25 °C.

Preparation: this chemical is prepared by Hydroxyimino-(1H-tetrazol-5-yl)-acetic acid. The reaction needs reagent H₂ and solvent H₂O. The reaction time is 16 h. The yield is about 72 %.

The 2H-Tetrazole-5-aceticacid, a-amino- can be obtained by Hydroxyimino-(1H-tetrazol-5-yl)-acetic acid

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)c1nnnn1
(2) InChI: InChI=1/C3H5N5O2/c4-1(3(9)10)2-5-7-8-6-2/h1H,4H2,(H,9,10)(H,5,6,7,8)
(3) InChIKey: UKBRUIZWQZHXFL-UHFFFAOYAB