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| CAS No.: | 20373-91-5 |
|---|---|
| Name: | 3-CYANO-4-IMINOPIPERIDINE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H9N3 |
| Molecular Weight: | 123.158 |
| Synonyms: | Nipecotonitrile,4-imino- (8CI);4-Imino-3-cyanopiperidine;NSC 157859; |
| Density: | 1.24 g/cm3 |
| Melting Point: | 187-188 °C |
| Boiling Point: | 366.2 °C at 760 mmHg |
| Flash Point: | 175.2 °C |
| PSA: | 59.67000 |
| LogP: | 0.56778 |
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- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- Total:8 Page 1 of 1 1
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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%.
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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 %.
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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