3-Azetidineacetic acid,2-carboxy-, (2S,3S)- supplier

Name
(2S,3S)-TRANS-3-(CARBOXYMETHYL)-AZETIDINE-2-ACETIC ACID
EINECS
CAS No. 185387-36-4
Density 1.427 g/cm³
Solubility
Melting Point
Formula C₆H₉NO₄
Boiling Point 428.6 °C at 760 mmHg
Molecular Weight 158.1326
Flash Point 213 °C
Transport Information
Appearance White Powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Azetidineaceticacid, 2-carboxy-, (2S-trans)-;
PSA 86.63000
LogP -0.14740

3-Azetidineacetic acid,2-carboxy-, (2S,3S)- Specification

The 3-Azetidineacetic acid,2-carboxy-, (2S,3S)-, with the CAS registry number 185387-36-4, is also known as (2S,3S)-Trans-3-(carboxymethyl)-azetidine-2-acetic acid. This chemical's molecular formula is C₆H₉NO₄ and molecular weight is 159.14. Its IUPAC name is called (2S,3S)-3-(2-oxido-2-oxoethyl)azetidin-1-ium-2-carboxylate.

Physical properties of 3-Azetidineacetic acid,2-carboxy-, (2S,3S)-: (1)ACD/LogP: -1.02; (2)ACD/LogD (pH 5.5): -4.39; (3)ACD/LogD (pH 7.4): -4.52; (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: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 34.18 cm³; (13)Molar Volume: 111.4 cm³; (14)Surface Tension: 59.2 dyne/cm; (15)Density: 1.427 g/cm³; (16)Flash Point: 213 °C; (17)Enthalpy of Vaporization: 74.99 kJ/mol; (18)Boiling Point: 428.6 °C at 760 mmHg; (19)Vapour Pressure: 1.51E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C([NH2+]1)C(=O)[O-])CC(=O)[O-]
(2)Isomeric SMILES: C1[C@@H]([C@H]([NH2+]1)C(=O)[O-])CC(=O)[O-]
(3)InChI: InChI=1S/C6H9NO4/c8-4(9)1-3-2-7-5(3)6(10)11/h3,5,7H,1-2H2,(H,8,9)(H,10,11)/p-1/t3-,5-/m0/s1
(4)InChIKey: FQUPICCTRPWMDZ-UCORVYFPSA-M

Product Name

(2S,3S)-TRANS-3-(CARBOXYMETHYL)-AZETIDINE-2-ACETIC ACID

3-Azetidineacetic acid,2-carboxy-, (2S,3S)- Specification

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