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| CAS No.: | 102624-96-4 |
|---|---|
| Name: | AZETIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C4H8ClNO2 |
| Molecular Weight: | 137.5648 |
| Synonyms: | 3-Azetidinecarboxylicacid, hydrochloride (9CI); |
| Boiling Point: | 268.5 °C at 760 mmHg |
| Flash Point: | 116.2 °C |
| PSA: | 49.33000 |
| LogP: | 0.42120 |
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Specification
The 3-Azetidinecarboxylicacid, hydrochloride (1:1), with the CAS registry number 102624-96-4, is also known as Azetidine-3-carboxylic acid hydrochloride (1:1). This chemical's molecular formula is C4H8ClNO2 and molecular weight is 137.5648. What's more, its IUPAC name is Azetidine-3-carboxylic acid hydrochloride.
Physical properties about 3-Azetidinecarboxylicacid, hydrochloride (1:1) are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 49.33 Å2; (6)Flash Point: 116.2 °C; (7)Enthalpy of Vaporization: 55.76 kJ/mol; (8)Boiling Point: 268.5 °C at 760 mmHg; (9)Vapour Pressure: 0.00218 mmHg at 25 °C.
Uses of 3-Azetidinecarboxylicacid, hydrochloride (1:1): it is used to produce other chemicals. For example, it is used to produce 1-Nitroazetidine-3-carboxylic acid at ambient temperature. This reaction needs reagents 100 % HNO3 and Acetic anhydride. The reaction time is 8 hours. The yield is about 65 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.OC(=O)C1CNC1
(2) InChI: InChI=1/C4H7NO2.ClH/c6-4(7)3-1-5-2-3;/h3,5H,1-2H2,(H,6,7);1H
(3) InChIKey: RNIZUCJGSDJAOQ-UHFFFAOYAV