3-Azetidinone hydrochloride supplier

Name
3-Azetidinone hydrochloride
EINECS
CAS No. 17557-84-5
Density
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Azetidinone,hydrochloride (8CI,9CI);Azetidin-3-one hydrocholoride;Azetidin-3-one hydrochloride (1:1);
PSA 29.10000
LogP 0.28950

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

Product Name

3-Azetidinone hydrochloride

3-Azetidinone hydrochloride Specification

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