Basic Information | Post buying leads | Suppliers |
Name |
PCA 10 (plastic) (9CI) |
EINECS | N/A |
CAS No. | 102135-82-0 | Density | 1.08 g/cm3 |
PSA | 23.55000 | LogP | 1.36240 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H22N2O | Boiling Point | 388.3 °C at 760 mmHg |
Molecular Weight | 234.337280 | Flash Point | 167.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-[2-[3-(Pyrrolidin-1-yl)-1-propynyl]piperidin-1-yl]ethan-1-one; |
The PCA 10 (plastic) (9CI), with the CAS registry number of 102135-82-0, is also known as 1-[2-[3-(Pyrrolidin-1-yl)-1-propynyl]piperidin-1-yl]ethan-1-one. This chemical's molecular formula is C14H22N2O and molecular weight is 234.337280. What's more, its IUPAC name is 1-[2-(3-Pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone.
Physical properties about the PCA 10 (plastic) (9CI) are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 19.41; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 68.65 cm3; (15)Molar Volume: 216.1 cm3; (16)Surface Tension: 46.6 dyne/cm; (17)Density: 1.08 g/cm3; (18)Flash Point: 167.4 °C; (19)Enthalpy of Vaporization: 63.74 kJ/mol; (20)Boiling Point: 388.3 °C at 760 mmHg; (21)Vapour Pressure: 3.11E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N2C(C#CCN1CCCC1)CCCC2)CA
(2) InChI: InChI=1/C14H22N2O/c1-13(17)16-12-3-2-7-14(16)8-6-11-15-9-4-5-10-15/h14H,2-5,7,9-12H2,1H3
(3) InChIKey: DSPDJPFEBQTXDO-UHFFFAOYAT