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Cas Database |
| Name |
(R)-4-Boc-Piperazine-2-carboxyl-tert-butylamide |
EINECS | N/A |
| CAS No. | 171866-36-7 | Density | 1.055 g/cm3 |
| PSA | 74.16000 | LogP | 2.21700 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H27N3O3 | Boiling Point | 437 °C at 760 mmHg |
| Molecular Weight | 285.387 | Flash Point | 218.1 °C |
| Transport Information | N/A | Appearance | White to pale yellowish powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
R-BBP;(R)-2-TERT-BUTYLCARBOXAMIDE-4-TERT-BUTOXYCARBONYLPIPERAZINE;(R)-(-)-2-(TERT-BUTYLCARBOXYAMIDE)-4-TERT-BUTOXYCARBONYLPIPERAZINE;(R)-4-BOC-PIPERAZINE-2-CARBOXYL-T-BUTYLAMIDE;(R)-4-BOC-PIPERAZINE-2-CARBOXYL-TERT-BUTYLAMIDE;(R)-4-BOC-PIPERAZINE-2-CARBOXY-T-BUTYLAMIDE;(R)-4-(TERT-BUTOXYCARBONYL)PIPERAZINE-2-CARBOXYL-TERT-BUTYLAMIDE;(R)-4-BOC-PIPERAZINE-2-CARBOXY-TERT-BUTYLAMIDE |
Article Data | 8 |
(R)-4-Boc-Piperazine-2-carboxyl-tert-butylamide Specification
The (R)-4-Boc-Piperazine-2-carboxyl-tert-butylamide is an organic compound with the formula C14H27N3O3. The systematic name of this chemical is tert-butyl (3R)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate. With the CAS registry number 171866-36-7, it is also named as 1-piperazinecarboxylic acid, 3-[[(1,1-dimethylethyl)amino]carbonyl]-, 1,1-dimethylethyl ester, (3R)-.
Physical properties about (R)-4-Boc-Piperazine-2-carboxyl-tert-butylamide are: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): 0.24; (3)ACD/LogD (pH 7.4): 0.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.05; (6)ACD/KOC (pH 5.5): 19.44; (7)ACD/KOC (pH 7.4): 57.75; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 53.09 Å2; (12)Index of Refraction: 1.48; (13)Molar Refractivity: 76.84 cm3; (14)Molar Volume: 270.3 cm3; (15)Polarizability: 30.46×10-24cm3; (16)Surface Tension: 36.6 dyne/cm; (17)Density: 1.055 g/cm3; (18)Flash Point: 218.1 °C; (19)Enthalpy of Vaporization: 69.36 kJ/mol; (20)Boiling Point: 437 °C at 760 mmHg; (21)Vapour Pressure: 7.71E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1C[C@H](C(=O)NC(C)(C)C)NCC1
(2)InChI: InChI=1/C14H27N3O3/c1-13(2,3)16-11(18)10-9-17(8-7-15-10)12(19)20-14(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,18)/t10-/m1/s1
(3)InChIKey: NASIOHFAYPRIAC-SNVBAGLBBG
(4)Std. InChI: InChI=1S/C14H27N3O3/c1-13(2,3)16-11(18)10-9-17(8-7-15-10)12(19)20-14(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,18)/t10-/m1/s1
(5)Std. InChIKey: NASIOHFAYPRIAC-SNVBAGLBSA-N
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