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| CAS No.: | 22398-09-0 |
|---|---|
| Name: | 4-N-PROPYLPIPERIDINE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C8H17N |
| Molecular Weight: | 127.23 |
| Synonyms: | 4-Propylpiperidine;NSC 24355; |
| EINECS: | 244-956-9 |
| Density: | 0.813 g/cm3 |
| Melting Point: | -1°C (estimate) |
| Boiling Point: | 170.208 °C at 760 mmHg |
| Flash Point: | 48.419 °C |
| Hazard Symbols: |
 Xi
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| Transport Information: | UN 1993 |
| PSA: | 12.03000 |
| LogP: | 2.11490 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- Total:21 Page 1 of 1 1
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Specification
The Piperidine, 4-propyl-, with the CAS registry number 22398-09-0, is also known as 4-n-Propylpiperidine. It belongs to the product category of Piperidine. Its EINECS registry number is 244-956-9. This chemical's molecular formula is C8H17N and molecular weight is 127.23. Its IUPAC name is called 4-propylpiperidine. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes.
Physical properties of Piperidine, 4-propyl-: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -0.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.429; (13)Molar Refractivity: 40.36 cm3; (14)Molar Volume: 156.5 cm3; (15)Surface Tension: 27 dyne/cm; (16)Density: 0.812 g/cm3; (17)Flash Point: 48.4 °C; (18)Enthalpy of Vaporization: 40.66 kJ/mol; (19)Boiling Point: 170.2 °C at 760 mmHg; (20)Vapour Pressure: 1.48 mmHg at 25°C.
Uses of Piperidine, 4-propyl-: it can be used to produce 2-(4-propyl-piperidin-1-yl)-benzothiazole by heating. This reaction is a kind of Substitution. It will need reagent NaHCO3 and solvent propan-2-ol, H2O with reaction time of 36 hours. The yield is about 87%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC1CCNCC1
(2)InChI: InChI=1S/C8H17N/c1-2-3-8-4-6-9-7-5-8/h8-9H,2-7H2,1H3
(3)InChIKey: RQGBFVLTFYRYKB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06400, |