1-Piperazinecarboxylicacid, 4-ethyl-3-oxo-, 1,1-dimethylethyl ester supplier

Name
1-ETHYL-4-(TERT-BUTYLOXYCARBONYL)PIPERAZIN-2-ONE
EINECS
CAS No. 194350-95-3
Article Data8
CAS DataBase
Density 1.087 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀N₂O₃
Boiling Point 348 °C at 760 mmHg
Molecular Weight 228.291
Flash Point 164.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Ethyl-4-(tert-Butyloxycarbonyl)piperazin-2-one;
PSA 49.85000
LogP 0.96140

1-Piperazinecarboxylicacid, 4-ethyl-3-oxo-, 1,1-dimethylethyl ester Specification

The 1-Piperazinecarboxylicacid, 4-ethyl-3-oxo-, 1,1-dimethylethyl ester, with the CAS registry number 194350-95-3, is also known as 1-Ethyl-4-(tert-Butyloxycarbonyl)piperazin-2-one. This chemical's molecular formula is C₁₁H₂₀N₂O₃ and molecular weight is 228.2881.

Physical properties about 1-Piperazinecarboxylicacid, 4-ethyl-3-oxo-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.69; (6)ACD/BCF (pH 7.4): 3.69; (7)ACD/KOC (pH 5.5): 88.56; (8)ACD/KOC (pH 7.4): 88.56; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 59.85 cm³; (15)Molar Volume: 209.8 cm³; (16)Polarizability: 23.72×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.087 g/cm³; (19)Flash Point: 164.3 °C; (20)Enthalpy of Vaporization: 59.24 kJ/mol; (21)Boiling Point: 348 °C at 760 mmHg; (22)Vapour Pressure: 5.17E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CC(=O)N(CC1)CC
(2) InChI: InChI=1/C11H20N2O3/c1-5-12-6-7-13(8-9(12)14)10(15)16-11(2,3)4/h5-8H2,1-4H3
(3) InChIKey: LVBZKGZHTMYSFA-UHFFFAOYAR

Product Name

1-ETHYL-4-(TERT-BUTYLOXYCARBONYL)PIPERAZIN-2-ONE

1-Piperazinecarboxylicacid, 4-ethyl-3-oxo-, 1,1-dimethylethyl ester Specification

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