4-Cbz-piperazine-2-carboxylate methyl ester supplier

Name
4-Cbz-piperazine-2-carboxylate methyl ester
EINECS
CAS No. 129799-11-7
Article Data3
CAS DataBase
Density 1.212 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₈N₂O₄
Boiling Point 406.5 °C at 760 mmHg
Molecular Weight 278.308
Flash Point 199.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl4-(benzyloxycarbonyl)piperazine-2-carboxylate;1-benzyl 3-methyl piperazine-1,3-dicarboxylate;1,3-Piperazinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester;1-Benzyl 3-methyl piperazine-1,3-dicarboxylate;Methyl-4-CBZ piperazine-2-carboxylate;Methyl-4-CBZ piperazine-2-carboxylate;Piperazine-1,3-dicarboxylic acid 1-benzyl ester 3-methyl ester;
PSA 67.87000
LogP 1.03670

4-Cbz-piperazine-2-carboxylate methyl ester Specification

The 4-Cbz-piperazine-2-carboxylate methyl ester, with the CAS registry number 129799-11-7, has the systematic name of 1-benzyl 3-methyl piperazine-1,3-dicarboxylate. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C₁₄H₁₈N₂O₄.

The characteristics of 4-Cbz-piperazine-2-carboxylate methyl ester are as followings: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 2.01; (6)ACD/BCF (pH 7.4): 5.98; (7)ACD/KOC (pH 5.5): 41.78; (8)ACD/KOC (pH 7.4): 124.33; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 59.08 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 71.74 cm³; (15)Molar Volume: 229.4 cm³; (16)Polarizability: 28.44×10^-24cm³; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 199.7 °C; (20)Enthalpy of Vaporization: 65.83 kJ/mol; (21)Boiling Point: 406.5 °C at 760 mmHg; (22)Vapour Pressure: 8.08E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CC(C(=O)OC)NCC2
(2)InChI: InChI=1/C14H18N2O4/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
(3)InChIKey: FYKXWBBQYZXPFB-UHFFFAOYAO

Product Name

4-Cbz-piperazine-2-carboxylate methyl ester

4-Cbz-piperazine-2-carboxylate methyl ester Specification

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