4-Piperidinecarboxylicacid, 4-cyano-1-(phenylmethyl)-, ethyl ester supplier

Name
1-BENZYL-4-CYANO-4-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 123730-67-6
Density 1.13 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₀N₂O₂
Boiling Point 395 °C at 760 mmHg
Molecular Weight 272.347
Flash Point 192.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Benzyl-4-cyano-4-piperidinecarboxylicacid ethyl ester;ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate;4-piperidinecarboxylic acid, 4-cyano-1-(phenylmethyl)-, ethyl ester;Ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate;
PSA 53.33000
LogP 2.29338

4-Piperidinecarboxylicacid, 4-cyano-1-(phenylmethyl)-, ethyl ester Specification

The 4-Piperidinecarboxylicacid, 4-cyano-1-(phenylmethyl)-, ethyl ester, with the CAS registry number 123730-67-6, has the systematic name of ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₆H₂₀N₂O₂.

The characteristics of 4-Piperidinecarboxylicacid, 4-cyano-1-(phenylmethyl)-, ethyl ester are as followings: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 3.93; (6)ACD/BCF (pH 7.4): 22.1; (7)ACD/KOC (pH 5.5): 55.75; (8)ACD/KOC (pH 7.4): 313.63; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 53.33 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 76.7 cm³; (15)Molar Volume: 239.2 cm³; (16)Polarizability: 30.4×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 192.7 °C; (20)Enthalpy of Vaporization: 64.51 kJ/mol; (21)Boiling Point: 395 °C at 760 mmHg; (22)Vapour Pressure: 1.9E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)C2(CCN(Cc1ccccc1)CC2)C#N
(2)InChI: InChI=1/C16H20N2O2/c1-2-20-15(19)16(13-17)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,2,8-12H2,1H3
(3)InChIKey: FPMGPVRBKDTWFD-UHFFFAOYAF

Product Name

1-BENZYL-4-CYANO-4-PIPERIDINECARBOXYLIC ACID ETHYL ESTER

4-Piperidinecarboxylicacid, 4-cyano-1-(phenylmethyl)-, ethyl ester Specification

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