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Name |
3-Azetidinecarbonitrile,hydrochloride (1:1) |
EINECS | N/A |
CAS No. | 345954-83-8 | Density | N/A |
PSA | 35.82000 | LogP | 0.86018 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H7ClN2 | Boiling Point | 227.7 °C at 760 mmHg |
Molecular Weight | 118.566 | Flash Point | 91.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-45 | Risk Codes | 25-36 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
3-Azetidinecarbonitrile,monohydrochloride (9CI);3-Cyanoazetidine hydrochloride; |
Article Data | 6 |
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