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CAS No.: | 114998-55-9 |
---|---|
Name: | Piperidine, 4-(2-chloroethyl)- |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H14ClN |
Molecular Weight: | 147.648 |
Synonyms: | 4-piperidinylethyl chloride; |
Density: | 0.975 g/cm3 |
Melting Point: | 149-150 °C |
Boiling Point: | 209.639 °C at 760 mmHg |
Flash Point: | 80.587 °C |
PSA: | 12.03000 |
LogP: | 1.94370 |
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The CAS registry number of Piperidine, 4-(2-chloroethyl)- is 114998-55-9. This chemical's molecular formula is C7H14ClN and molecular weight is 147.08. What's more, its systematic name is called 4-(2-Chloroethyl)piperidine.
Physical properties about Piperidine, 4-(2-chloroethyl)- are: (1)ACD/LogP: 1.554; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -1.26; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 40.583 cm3; (15)Molar Volume: 151.444 cm3; (16)Polarizability: 16.088×10-24cm3; (17)Surface Tension: 30.393 dyne/cm; (18)Density: 0.975 g/cm3; (19)Flash Point: 80.587 °C; (20)Enthalpy of Vaporization: 44.591 kJ/mol; (21)Boiling Point: 209.639 °C at 760 mmHg; (22)Vapour Pressure: 0.201 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCCC1CCNCC1
(2) InChI: InChI=1S/C7H14ClN/c8-4-1-7-2-5-9-6-3-7/h7,9H,1-6H2
(3) InChIKey: OKFLXXZLKOMXMO-UHFFFAOYSA-N