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886366-38-7

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Basic Information
CAS No.: 886366-38-7
Name: 2-METHYL-3-(4-BOC-PIPERAZIN-1-YL)-PROPIONIC ACID METHYL ESTER
Molecular Structure:
Molecular Structure of 886366-38-7 (2-METHYL-3-(4-BOC-PIPERAZIN-1-YL)-PROPIONIC ACID METHYL ESTER)
Formula: C14H26N2O4
Molecular Weight: 286.371
Synonyms: 2-METHYL-3-(4-BOC-PIPERAZIN-1-YL)-PROPIONIC ACID METHYL ESTER;4-(2-METHOXYCARBONYL-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;tert-Butyl 4-(3-Methoxy-2-Methyl-3-oxopropyl)piperazine-1-carboxylate
Density: 1.073 g/cm3
Boiling Point: 367.9 °C at 760 mmHg
Flash Point: 176.3 °C
PSA: 59.08000
LogP: 1.22400
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Specification

This chemical is called 1-Piperazinepropanoic acid, 4-[(1,1-dimethylethoxy)carbonyl]-α-methyl-, methyl ester, and its systematic name is tert-butyl 4-(3-methoxy-2-methyl-3-oxo-propyl)piperazine-1-carboxylate. With the molecular formula of C14H26N2O4, its molecular weight is 286.37. The CAS registry number of this chemical is 886366-38-7.

Other characteristics of the 1-Piperazinepropanoic acid, 4-[(1,1-dimethylethoxy)carbonyl]-α-methyl-, methyl ester can be summarised as followings: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.56; (5)#H bond acceptors: 6; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 59.08 Å2; (9)Index of Refraction: 1.476; (10)Molar Refractivity: 75.35 cm3; (11)Molar Volume: 266.7 cm3; (12)Polarizability: 29.87×10-24cm3; (13)Surface Tension: 37.3 dyne/cm; (14)Density: 1.073 g/cm3; (15)Flash Point: 176.3 °C; (16)Enthalpy of Vaporization: 61.45 kJ/mol; (17)Boiling Point: 367.9 °C at 760 mmHg; (18)Vapour Pressure: 1.32E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CC(CN1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC
2.InChI: InChI=1/C14H26N2O4/c1-11(12(17)19-5)10-15-6-8-16(9-7-15)13(18)20-14(2,3)4/h11H,6-10H2,1-5H3
3.InChIKey: BDEAVZQFIXHXIP-UHFFFAOYAW