2-Piperazinecarboxylicacid, 1,4-bis(phenylmethyl)-, methyl ester supplier

Name
PIPERAZINE-2-CARBOXYLIC ACID
EINECS
CAS No. 54969-33-4
Density 1.147 g/cm³
Solubility
Melting Point
Formula C₂₀H₂₄N₂O₂
Boiling Point 428.916 °C at 760 mmHg
Molecular Weight 324.423
Flash Point 213.201 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl1,4-dibenzylpiperazine-2-carboxylate;2-piperazinecarboxylic acid, 1,4-bis(phenylmethyl)-, methyl ester;1,4-Bis(Phenylmethyl)-2-Piperazinecarboxylic Acid Methyl Ester;
PSA 32.78000
LogP 2.42180

2-Piperazinecarboxylicacid, 1,4-bis(phenylmethyl)-, methyl ester Specification

The 2-Piperazinecarboxylicacid, 1,4-bis(phenylmethyl)-, methyl ester, with the CAS registry number 54969-33-4, has the systematic name of methyl 1,4-dibenzylpiperazine-2-carboxylate. And the molecular formula of the chemical is C₂₀H₂₄N₂O₂.

The characteristics of 2-Piperazinecarboxylicacid, 1,4-bis(phenylmethyl)-, methyl ester are as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 25; (6)ACD/BCF (pH 7.4): 62; (7)ACD/KOC (pH 5.5): 270; (8)ACD/KOC (pH 7.4): 667; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 94.863 cm³; (15)Molar Volume: 282.794 cm³; (16)Polarizability: 37.607×10^-24cm³; (17)Surface Tension: 48.077 dyne/cm; (18)Density: 1.147 g/cm³; (19)Flash Point: 213.201 °C; (20)Enthalpy of Vaporization: 68.413 kJ/mol; (21)Boiling Point: 428.916 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)C2N(CCN(Cc1ccccc1)C2)Cc3ccccc3
(2)InChI: InChI=1/C20H24N2O2/c1-24-20(23)19-16-21(14-17-8-4-2-5-9-17)12-13-22(19)15-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3
(3)InChIKey: DBMUXEJSBIDMQU-UHFFFAOYAL

Product Name

PIPERAZINE-2-CARBOXYLIC ACID

2-Piperazinecarboxylicacid, 1,4-bis(phenylmethyl)-, methyl ester Specification

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