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| Name |
3-Azetidinone hydrochloride |
EINECS | N/A |
| CAS No. | 17557-84-5 | Density | N/A |
| PSA | 29.10000 | LogP | 0.28950 |
| Solubility | N/A | Melting Point |
290-300 °C |
| Formula | C3H5NO.HCl | Boiling Point | 139.7 °C at 760 mmHg |
| Molecular Weight | 107.54 | Flash Point | 76.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Azetidinone,hydrochloride (8CI,9CI);Azetidin-3-one hydrocholoride;Azetidin-3-one hydrochloride (1:1); |
3-Azetidinone hydrochloride Specification
The IUPAC name of 3-Azetidinone hydrochloride is azetidin-3-one hydrochloride. With the CAS registry number 17557-84-5, it is also named as 3-Azetidinone,hydrochloride (8CI,9CI). In addition, its molecular formula is C3H5NO.HCl and its molecular weight is 107.54.
The other characteristics of 3-Azetidinone hydrochloride can be summarized as: (1)ACD/LogP: -1.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Rotatable Bond Count: 0; (7)Tautomer Count: 2; (8)Exact Mass: 107.013792; (9)MonoIsotopic Mass: 107.013792; (10)Topological Polar Surface Area: 29.1; (11)Heavy Atom Count: 6; (12)Complexity: 53.9; (13)Polar Surface Area: 20.31 Å2; (14)Flash Point: 76.8 °C; (15)Enthalpy of Vaporization: 37.7 kJ/mol; (16)Boiling Point: 139.7 °C at 760 mmHg; (17)Vapour Pressure: 6.33 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.O=C1CNC1
(2)InChI: InChI=1/C3H5NO.ClH/c5-3-1-4-2-3;/h4H,1-2H2;1H
(3)InChIKey: RFBXEQYQSIJAJL-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C3H5NO.ClH/c5-3-1-4-2-3;/h4H,1-2H2;1H
(5)Std. InChIKey: RFBXEQYQSIJAJL-UHFFFAOYSA-N
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