PCA 10 (plastic) (9CI) supplier

Name
PCA 10
EINECS
CAS No. 102135-82-0
Density 1.08 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₂N₂O
Boiling Point 388.3 °C at 760 mmHg
Molecular Weight 234.337280
Flash Point 167.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[2-[3-(Pyrrolidin-1-yl)-1-propynyl]piperidin-1-yl]ethan-1-one;
PSA 23.55000
LogP 1.36240

PCA 10 (plastic) (9CI) Specification

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

Product Name

PCA 10

PCA 10 (plastic) (9CI) Specification

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