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77278-34-3

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Basic Information
CAS No.: 77278-34-3
Name: 1-Cyclopropylpiperazine-4-carboxylic acid tert-butyl ester
Article Data: 15
Molecular Structure:
Molecular Structure of 77278-34-3 (1-Cyclopropylpiperazine-4-carboxylic acid tert-butyl ester)
Formula: C12H22N2O2
Molecular Weight: 226.319
Synonyms: tert-Butyl 4-cyclopropylpiperazine-1-carboxylate;
Density: 1.116 g/cm3
Boiling Point: 296.5 °C at 760 mmHg
Flash Point: 133.1 °C
PSA: 32.78000
LogP: 1.57730
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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