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| CAS No.: | 26371-07-3 |
|---|---|
| Name: | 1-PIPERIDINEPROPIONIC ACID |
| Molecular Structure: | |
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| Formula: | C8H15NO2 |
| Molecular Weight: | 157.213 |
| Synonyms: | 1-Piperidinepropionicacid (8CI);3-(1-Piperidinyl)propanoic acid;3-Piperidin-1-ylpropionic acid;3-Piperidinopropanoic acid;3-Piperidinopropionic acid; |
| EINECS: | 247-633-0 |
| Density: | 1.075 g/cm3 |
| Melting Point: | 105-110 °C(lit.) |
| Boiling Point: | 291 °C at 760 mmHg |
| Flash Point: | 123.8 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 40.54000 |
| LogP: | 0.88490 |
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Specification
The 1-Piperidinepropionic acid, with the CAS registry number 26371-07-3 and EINECS registry number 247-633-0, has the systematic name of 3-(piperidin-1-yl)propanoic acid. It belongs to the following product categories: Building Blocks; Heterocyclic Building Blocks; Piperidines. And the molecular formula of the chemical is C8H15NO2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): -1.37; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 42.14 cm3; (15)Molar Volume: 146.2 cm3; (16)Polarizability: 16.7×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.075 g/cm3; (19)Flash Point: 123.8 °C; (20)Enthalpy of Vaporization: 58.36 kJ/mol; (21)Boiling Point: 291 °C at 760 mmHg; (22)Vapour Pressure: 0.000498 mmHg at 25°C.
Preparation of 1-Piperidinepropionic acid: This chemical can be prepared by piperidine and acrylic acid methyl ester. The reaction time is 48 hours with temperature of 20°C, and the yield is about 85%.
Uses of 1-Piperidinepropionic acid: It can react with sarcosine ethyl ester; hydrochloride to produce [methyl-(3-piperidin-1-yl-propionyl)-amino]-acetic acid ethyl ester. This reaction will need reagent HOBT, DCC and Et3N, and the menstruum CH2Cl2. The reaction time is 60 hours with temperature of 20°C, and the yield is about 36%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCN1CCCCC1
(2)InChI: InChI=1/C8H15NO2/c10-8(11)4-7-9-5-2-1-3-6-9/h1-7H2,(H,10,11)
(3)InChIKey: LPDGWMLCUHULJF-UHFFFAOYAT