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| CAS No.: | 4138-26-5 |
|---|---|
| Name: | NIPECOTAMIDE |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C6H12N2O |
| Molecular Weight: | 128.174 |
| Synonyms: | Nipecotamide(6CI,7CI,8CI);3-(Aminocarbonyl)piperidine;3-Carbamoylpiperidine;NSC 523303;3-Piperidinecarboxamide;Piperidine-3-carboxylic acid amide;Nipecotic acid amide; |
| EINECS: | 223-962-5 |
| Density: | 1.06 g/cm3 |
| Melting Point: | 103-106 °C(lit.) |
| Boiling Point: | 311.7 °C at 760 mmHg |
| Flash Point: | 142.3 °C |
| Appearance: | yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 55.12000 |
| LogP: | 0.50040 |
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Specification
The Nipecotic acid amide, with the CAS registry number 4138-26-5, is also known as 3-Piperidinecarboxamide. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Building Blocks; Heterocyclic Building Blocks; Piperidines. Its EINECS number is 223-962-5. This chemical's molecular formula is C6H12N2O and molecular weight is 128.17. What's more, its IUPAC name is piperidine-3-carboxamide. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.
Physical properties of Nipecotic acid amide are: (1)ACD/LogP: -0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.07; (4)ACD/LogD (pH 7.4): -3.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.55 Å2; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 34.51 cm3; (13)Molar Volume: 120.9 cm3; (14)Surface Tension: 38.8 dyne/cm; (15)Density: 1.06 g/cm3; (16)Flash Point: 142.3 °C; (17)Enthalpy of Vaporization: 55.27 kJ/mol; (18)Boiling Point: 311.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000553 mmHg at 25°C.
Uses of Nipecotic acid amide: it can be used to produce 1-(2-benzhydryloxy-ethyl)-piperidine-3-carboxylic acid amide at the temperature of 20 °C. It will need reagent K2CO3 and solvent dimethylformamide with the reaction time of 48 hours. It's a reaction of alkylation. The yield is about 88%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(CNC1)C(=O)N
(2)InChI: InChI=1S/C6H12N2O/c7-6(9)5-2-1-3-8-4-5/h5,8H,1-4H2,(H2,7,9)
(3)InChIKey: BVOCPVIXARZNQN-UHFFFAOYSA-N