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1-Cyclopropylpiperazine-4-carboxylic acid tert-butyl ester

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Name

1-Cyclopropylpiperazine-4-carboxylic acid tert-butyl ester

EINECS N/A
CAS No. 77278-34-3 Density 1.116 g/cm3
PSA 32.78000 LogP 1.57730
Solubility N/A Melting Point N/A
Formula C12H22N2O2 Boiling Point 296.5 °C at 760 mmHg
Molecular Weight 226.319 Flash Point 133.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 77278-34-3 (1-Cyclopropylpiperazine-4-carboxylic acid tert-butyl ester) Hazard Symbols N/A
Synonyms

tert-Butyl 4-cyclopropylpiperazine-1-carboxylate;

Article Data 15

1-Cyclopropylpiperazine-4-carboxylic acid tert-butyl ester Specification

The 1-Cyclopropylpiperazine-4-carboxylic acid tert-butyl ester, with the CAS registry number 77278-34-3, is also known as 4-Cyclopropyl-piperazine-1-carboxylic acid tert-butyl ester. This chemical's molecular formula is C12H22N2O2 and molecular weight is 226.31528. What's more, its systematic name is called tert-Butyl 4-cyclopropylpiperazine-1-carboxylate.

Physical properties about 1-Cyclopropylpiperazine-4-carboxylic acid tert-butyl ester are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.93; (6)ACD/KOC (pH 5.5): 3.17; (7)ACD/KOC (pH 7.4): 82.72; (8)#H bond acceptors: 4; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 32.78 Å2; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 62.27 cm3; (14)Molar Volume: 202.6 cm3; (15)Surface Tension: 44.7 dyne/cm; (16)Density: 1.116 g/cm3; (17)Flash Point: 133.1 °C; (18)Enthalpy of Vaporization: 53.63 kJ/mol; (19)Boiling Point: 296.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00143 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2CC2
(2) InChI: InChI=1/C12H22N2O2/c1-12(2,3)16-11(15)14-8-6-13(7-9-14)10-4-5-10/h10H,4-9H2,1-3H3
(3) InChIKey: UNCLAXHNVIYBNX-UHFFFAOYAQ

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