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741287-46-7

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Basic Information
CAS No.: 741287-46-7
Name: 1-Boc-4-Isopropylpiperazine
Article Data: 7
Molecular Structure:
Molecular Structure of 741287-46-7 (1-Boc-4-Isopropylpiperazine)
Formula: C12H24N2O2
Molecular Weight: 228.335
Synonyms: 1-Boc-4-Isopropylpiperazine;4-Isopropyl-piperazine-1-carboxylic acid tert-butyl ester;
Density: 1.002 g/cm3
Boiling Point: 285.778 °C at 760 mmHg
Flash Point: 126.635 °C
PSA: 32.78000
LogP: 1.82330
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    Chemical Name: 4-ISOPROPYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER CAS No. 741287-46-7 Molecular Formula: C12H24N2O2 Formula Weight: 228.3…

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Specification

The systematic name of 1-Boc-4-Isopropylpiperazine is tert-Butyl 4-(propan-2-yl)piperazine-1-carboxylate. With the CAS registry number 741287-46-7, it is also named as 4-Isopropyl-piperazine-1-carboxylic acid tert-butyl ester. In addition, its molecular formula is C12H24N2O2 and its molecular weight is 228.33. 

The other characteristics of 1-Boc-4-Isopropylpiperazine can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 17; (8)ACD/KOC (pH 7.4): 202; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 64.259 cm3; (15)Molar Volume: 227.87 cm3; (16)Polarizability: 25.474×10-24cm3; (17)Surface Tension: 34.814 dyne/cm; (18)Density: 1.002 g/cm3; (19)Flash Point: 126.635 °C; (20)Enthalpy of Vaporization: 52.485 kJ/mol; (21)Boiling Point: 285.778 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC(C)(C)C)N1CCN(C(C)C)CC1
(2)InChI:InChI=1/C12H24N2O2/c1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5/h10H,6-9H2,1-5H3
(3)InChIKey:YKMBNBXUPNOYHE-UHFFFAOYAE
(4)Std. InChI:InChI=1S/C12H24N2O2/c1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5/h10H,6-9H2,1-5H3
(5)Std. InChIKey:YKMBNBXUPNOYHE-UHFFFAOYSA-N