1,4-Bis(N-Boc)piperazine-2-carboxylic acid supplier

Name
1,4-Bis(N-Boc)piperazine-2-carboxylic acid
EINECS
CAS No. 181955-79-3
Article Data15
CAS DataBase
Density 1.201 g/cm³
Solubility
Melting Point 142-148°C
Formula C₁₅H₂₆N₂O₆
Boiling Point 443.888 °C at 760 mmHg
Molecular Weight 330.381
Flash Point 222.256 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 36-43
Molecular Structure
Hazard Symbols Xi
Synonyms 1,4-Di-tert-butoxycarbonylpiperazine-2-carboxylicacid;Piperazine-1,2,4-tricarboxylic acid 1,4-di-tert-butyl ester;
PSA 96.38000
LogP 1.80320

1,4-Bis(N-Boc)piperazine-2-carboxylic acid Specification

The CAS registry number of 1,4-Bis(N-Boc)piperazine-2-carboxylic acid is 181955-79-3. The molecular formula is C₁₅H₂₆N₂O₆ and the molecular weight is 330.38. In addition, the systematic name is 1,4-bis(tert-butoxycarbonyl)piperazine-2-carboxylic acid. It should be stored in a cool and dry place.

Physical properties about 1,4-Bis(N-Boc)piperazine-2-carboxylic acid are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.92; (4)ACD/LogD (pH 7.4): -2.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 85.38 Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 81.31 cm³; (15)Molar Volume: 275.1 cm³; (16)Polarizability: 32.23 ×10^-24cm³; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 222.3 °C; (20)Enthalpy of Vaporization: 76.92 kJ/mol; (21)Boiling Point: 443.9 °C at 760 mmHg; (22)Vapour Pressure: 4.05E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1CC(C(=O)O)N(C(=O)OC(C)(C)C)CC1
(2)InChI: InChI=1/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)
(3)InChIKey: IIZGWFQKLVCLLA-UHFFFAOYAN

Product Name

1,4-Bis(N-Boc)piperazine-2-carboxylic acid

1,4-Bis(N-Boc)piperazine-2-carboxylic acid Specification

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