2,4-Azetidinedicarboxylicacid, (2R,4R)-rel- supplier

Name
(±)-TRANS-AZETIDINE-2,4-DICARBOXYLIC ACID
EINECS
CAS No. 121050-03-1
Density 1.585 g/cm³
Solubility
Melting Point
Formula C₅H₇NO₄
Boiling Point 352.5 °C at 760 mmHg
Molecular Weight 145.115
Flash Point 167 °C
Transport Information
Appearance
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms azetidine-2,4-dicarboxylic acid;Azetidine-2,4-dicarboxylic acid;2,4-azetidinedicarboxylic acid;
PSA 86.63000
LogP -0.78510

2,4-Azetidinedicarboxylicacid, (2R,4R)-rel- Specification

The 2,4-Azetidinedicarboxylicacid, (2R,4R)-rel-, with the CAS registry number 121050-03-1, has the systematic name of azetidine-2,4-dicarboxylic acid. It belongs to the product category of Carboxylic acid. And the molecular formula of the chemical is C₅H₇NO₄. What's more, it should be stored in the refrigerator.

The characteristics of 2,4-Azetidinedicarboxylicacid, (2R,4R)-rel- are as followings: (1)ACD/LogP: -0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.36; (4)ACD/LogD (pH 7.4): -4.37; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 29.39 cm³; (15)Molar Volume: 91.5 cm³; (16)Polarizability: 11.65×10^-24cm³; (17)Surface Tension: 74.8 dyne/cm; (18)Density: 1.585 g/cm³; (19)Flash Point: 167 °C; (20)Enthalpy of Vaporization: 65.63 kJ/mol; (21)Boiling Point: 352.5 °C at 760 mmHg; (22)Vapour Pressure: 6.48E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C1NC(C(=O)O)C1
(2)InChI: InChI=1/C5H7NO4/c7-4(8)2-1-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)
(3)InChIKey: JMVIGOFRIJJUAW-UHFFFAOYAJ

Product Name

(±)-TRANS-AZETIDINE-2,4-DICARBOXYLIC ACID

2,4-Azetidinedicarboxylicacid, (2R,4R)-rel- Specification

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