Basic information
- Name:
3-Azetidinecarbonitrile,hydrochloride (1:1)
- CAS No.:
345954-83-8
- Molecular Structure:
- Formula:
- C4H7ClN2
- Molecular Weight:
- 118.56478
- Synonyms:
- 3-Azetidinecarbonitrile,monohydrochloride (9CI);3-Cyanoazetidine hydrochloride;
- Boiling Point:
- 227.7 °C at 760 mmHg
- Flash Point:
- 91.5 °C
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Specification
The 3-Azetidinecarbonitrile, hydrochloride (1:1), with the CAS registry number of 345954-83-8, is also known as Azetidin-3-carbonitrilhydrochlorid (1:1). This chemical's molecular formula is C4H7ClN2 and molecular weight is 118.56478. What's more, its systematic name is called Azetidine-3-carbonitrile hydrochloride.
Physical properties about 3-Azetidinecarbonitrile, hydrochloride (1:1) are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 0; (5)Polar Surface Area: 35.82 Å2; (6)Flash Point: 91.5 °C; (7)Enthalpy of Vaporization: 47.37 kJ/mol; (8)Boiling Point: 227.7 °C at 760 mmHg; (9)Vapour Pressure: 0.0624 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.N#CC1CNC1
(2) InChI: InChI=1/C4H6N2.ClH/c5-1-4-2-6-3-4;/h4,6H,2-3H2;1H
(3) InChIKey: MJZQSPDYIKSJCN-UHFFFAOYAH
