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| CAS No.: | 698-92-0 |
|---|---|
| Name: | 1-(2-chloropropyl)piperidine |
| Molecular Structure: | |
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| Formula: | C8H16ClN |
| Molecular Weight: | 161.675 |
| Synonyms: | 1-(2-chloropropyl)piperidine;1-(2-Chloropropyl)piperidine Einecs ;Einecs 211-823-1;Piperidine, 1-(2-chloropropyl)- |
| EINECS: | 211-823-1 |
| Density: | 0.99 g/cm3 |
| Melting Point: | 388-389℃ |
| Boiling Point: | 204.762 °C at 760 mmHg |
| Flash Point: | 77.638 °C |
| PSA: | 3.24000 |
| LogP: | 2.03750 |
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Specification
The CAS registry number of Piperidine,1-(2-chloropropyl)- is 698-92-0. Its EINECS registry number is 211-823-1. This chemical's molecular formula is C8H16ClN and molecular weight is 161.67. What's more, both its IUPAC name and systematic name are the same which is called 1-(2-Chloropropyl)piperidine.
Physical properties about Piperidine,1-(2-chloropropyl)- are: (1)ACD/LogP: 2.348; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 5.69; (7)ACD/KOC (pH 5.5): 1.42; (8)ACD/KOC (pH 7.4): 71.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 45.392 cm3; (15)Molar Volume: 163.357 cm3; (16)Polarizability: 17.995×10-24cm3; (17)Surface Tension: 30.549 dyne/cm; (18)Density: 0.99 g/cm3; (19)Flash Point: 77.638 °C; (20)Enthalpy of Vaporization: 44.099 kJ/mol; (21)Boiling Point: 204.762 °C at 760 mmHg; (22)Vapour Pressure: 0.259 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(CN1CCCCC1)C
(2) InChI: InChI=1S/C8H16ClN/c1-8(9)7-10-5-3-2-4-6-10/h8H,2-7H2,1H3
(3) InChIKey: KFWCHHIRLGAWOS-UHFFFAOYSA-N