1,2,4-Piperazinetricarboxylicacid, 1,4-bis(1,1-dimethylethyl) ester, (2R)- supplier

Name
(R)-1-N-BOC-4-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID
EINECS
CAS No. 173774-48-6
Article Data10
CAS DataBase
Density 1.201 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₆N₂O₆
Boiling Point 443.888 °C at 760 mmHg
Molecular Weight 330.381
Flash Point 222.256 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,4-Piperazinetricarboxylicacid, 1,4-bis(1,1-dimethylethyl) ester, (R)-;(2R)-1,4-Bis(tert-butoxycarbonyl)piperazine-2-carboxylic acid;(R)-1,4-Bis-Boc-piperazine-2-carboxylic acid;
PSA 96.38000
LogP 1.80320

1,2,4-Piperazinetricarboxylicacid, 1,4-bis(1,1-dimethylethyl) ester, (2R)- Specification

The 1,2,4-Piperazinetricarboxylicacid, 1,4-bis(1,1-dimethylethyl) ester, (2R)-, with the CAS registry number 173774-48-6, is also known as (R)-1,4-Bis-Boc-piperazine-2-carboxylic acid. This chemical's molecular formula is C₁₅H₂₆N₂O₆ and molecular weight is 330.38. What's more, its systematic name is (2R)-1,4-Bis(tert-butoxycarbonyl)piperazine-2-carboxylic acid.

Physical properties of 1,2,4-Piperazinetricarboxylicacid, 1,4-bis(1,1-dimethylethyl) ester, (2R)- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.108; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 96.38 Å²; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 81.317 cm³; (14)Molar Volume: 275.19 cm³; (15)Polarizability: 32.236×10^-24cm³; (16)Surface Tension: 46.265 dyne/cm; (17)Density: 1.201 g/cm³; (18)Flash Point: 222.256 °C; (19)Enthalpy of Vaporization: 76.915 kJ/mol; (20)Boiling Point: 443.888 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCN([C@H](C1)C(=O)O)C(=O)OC(C)(C)C
(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)/t10-/m1/s1
(3)InChIKey: IIZGWFQKLVCLLA-SNVBAGLBSA-N

Product Name

(R)-1-N-BOC-4-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID

1,2,4-Piperazinetricarboxylicacid, 1,4-bis(1,1-dimethylethyl) ester, (2R)- Specification

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