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CAS No.: | 13603-10-6 |
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Name: | 3-Ethylpiperidine |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C7H15N |
Molecular Weight: | 113.203 |
Synonyms: | beta-Aethylpiperidin [German];Piperidine, 3-ethyl-; |
Density: | 0.808 g/cm3 |
Melting Point: | 149 °C |
Boiling Point: | 152.6 °C at 760 mmHg |
Flash Point: | 33.8 °C |
PSA: | 12.03000 |
LogP: | 1.72480 |
This chemical is called 3-Ethylpiperidine, and it's also named as Piperidine, 3-ethyl-. With the molecular formula of C7H15N, its molecular weight is 113.20. The CAS registry number of this chemical is 13603-10-6.
Other characteristics of the 3-Ethylpiperidine can be summarised as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.423; (8)Molar Refractivity: 35.73 cm3; (9)Molar Volume: 140 cm3; (10)Polarizability: 14.16×10-24cm3; (11)Surface Tension: 26.2 dyne/cm; (12)Density: 0.808 g/cm3; (13)Flash Point: 33.8 °C; (14)Enthalpy of Vaporization: 38.94 kJ/mol; (15)Boiling Point: 152.6 °C at 760 mmHg; (16)Vapour Pressure: 3.47 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N1CCCC(CC)C1
2.InChI: InChI=1/C7H15N/c1-2-7-4-3-5-8-6-7/h7-8H,2-6H2,1H3
3.InChIKey: YLUDSYGJHAQGOD-UHFFFAOYAC
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LDLo | subcutaneous | 300mg/kg (300mg/kg) | Berichte der Deutschen Chemischen Gesellschaft. Vol. 34, Pg. 2408, 1901. |