3-Piperidinecarbonitrile,4-imino- supplier

Name
3-CYANO-4-IMINOPIPERIDINE
EINECS
CAS No. 20373-91-5
Article Data4
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 187-188 °C
Formula C₆H₉N₃
Boiling Point 366.2 °C at 760 mmHg
Molecular Weight 123.158
Flash Point 175.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nipecotonitrile,4-imino- (8CI);4-Imino-3-cyanopiperidine;NSC 157859;
PSA 59.67000
LogP 0.56778

3-Piperidinecarbonitrile,4-imino- Specification

The 3-Piperidinecarbonitrile,4-imino-, with the CAS registry number 20373-91-5, is also known as 4-Imino-piperidine-3-carbonitrile. This chemical's molecular formula is C₆H₉N₃ and molecular weight is 123.16. What's more, its systematic name is called (4E)-4-Iminopiperidine-3-carbonitrile.

Physical properties about 3-Piperidinecarbonitrile,4-imino- are: (1) ACD/LogP: -1.88; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 0; (6) Polar Surface Area: 39.39 Å²; (7) Index of Refraction: 1.617; (8) Molar Refractivity: 34.52 cm³; (9) Molar Volume: 98.6 cm³; (10) Surface Tension: 52.3 dyne/cm; (11) Density: 1.24 g/cm³; (12) Flash Point: 175.2 °C; (13) Enthalpy of Vaporization: 61.25 kJ/mol; (14) Boiling Point: 366.2 °C at 760 mmHg; (15) Vapour Pressure: 1.49E-05 mmHg at 25 °C.

Preparation of 3-Piperidinecarbonitrile,4-imino-: this chemical can be prepared by β-alanine nitrile. The yield is 65%.

Uses of 3-Piperidinecarbonitrile,4-imino-: it is used to produce other chemicals. For example, it is used to produce 4-Oxo-piperidine-3-carbonitrile. The reaction occurs with reagent aqueous HCl. The yield is 80 %.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC1C(=[N@H])CCNC1
(2) InChI: InChI=1/C6H9N3/c7-3-5-4-9-2-1-6(5)8/h5,8-9H,1-2,4H2/b8-6+
(3) InChIKey: AXDAIIMFNFQFTD-SOFGYWHQBI

Product Name

3-CYANO-4-IMINOPIPERIDINE

3-Piperidinecarbonitrile,4-imino- Specification

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