Piberaline supplier | CasNO.39640-15-8

Name
Piberaline
EINECS
CAS No. 39640-15-8
Article Data5
CAS DataBase
Density 1.186g/cm³
Solubility
Melting Point 97 °C
Formula C₁₇H₁₉N₃O
Boiling Point 446.6 °C at 760 mmHg
Molecular Weight 281.357
Flash Point 223.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperazine,1-(phenylmethyl)-4-(2-pyridinylcarbonyl)- (9CI);1-Benzyl-4-(2'-pyridinecarbonyl)piperazine;Piberaline;
PSA 36.44000
LogP 1.91540

Piberaline Specification

The Piberaline, with CAS registry number 39640-15-8, has the systematic name of (4-benzylpiperazin-1-yl)(pyridin-2-yl)methanone. And its IUPAC name is the same one. This chemical is a psychoactive drug and member of the piperazine chemical class. And the chemical formula of this chemical is C₁₇H₁₉N₃O.

Physical properties of Piberaline: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1.65; (6)ACD/BCF (pH 7.4): 3.38; (7)ACD/KOC (pH 5.5): 40.41; (8)ACD/KOC (pH 7.4): 82.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.44 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 82.48 cm³; (15)Molar Volume: 237.1 cm³; (16)Polarizability: 32.69×10^-24cm³; (17)Surface Tension: 53.6 dyne/cm; (18)Enthalpy of Vaporization: 70.48 kJ/mol; (19)Vapour Pressure: 3.59E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N2CCN(Cc1ccccc1)CC2)c3ncccc3
(2)InChI: InChI=1/C17H19N3O/c21-17(16-8-4-5-9-18-16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9H,10-14H2
(3)InChIKey: TZFUBYYADABEAV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C17H19N3O/c21-17(16-8-4-5-9-18-16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9H,10-14H2
(5)Std. InChIKey: TZFUBYYADABEAV-UHFFFAOYSA-N

Product Name

Piberaline

Piberaline Specification

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