CAS No.1034574-30-5,(S)-1-N-BOC-4-N-FMOC-PIPERAZINE-2-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1034574-30-5
Name:	(S)-1-N-BOC-4-N-FMOC-PIPERAZINE-2-CARBOXYLIC ACID

Formula:	C₂₅H₂₈N₂O₆
Molecular Weight:	452.19
Synonyms:	(2S)-1-(tert-butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazine-2-carboxylic acid;
Density:	1.292 g/cm³
Boiling Point:	624.4 °C at 760 mmHg
Flash Point:	331.4 °C
PSA:	96.38000
LogP:	3.81720

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Specification

The CAS registry number of (S)-1-N-Boc-4-N-fmoc-2-piperazine carboxylic acid is 1034574-30-5. In addition, the molecular formula is C₂₅H₂₈N₂O₆ and the molecular weight is 452.19. Its systematic name is (2S)-1-(tert-butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazine-2-carboxylic acid. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about (S)-1-N-Boc-4-N-fmoc-2-piperazine carboxylic acid are: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 8.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 49.71; (8)ACD/KOC (pH 7.4): 1.15; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 85.38 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 119.26 cm³; (15)Molar Volume: 349.9 cm³; (16)Polarizability: 47.27 ×10^-24cm³; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.292 g/cm³; (19)Flash Point: 331.4 °C; (20)Enthalpy of Vaporization: 97.19 kJ/mol; (21)Boiling Point: 624.4 °C at 760 mmHg; (22)Vapour Pressure: 1.88E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)N4C[C@H](N(C(=O)OC(C)(C)C)CC4)C(=O)O
(2)Std. InChI: InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-12-26(14-21(27)22(28)29)23(30)32-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,28,29)/t21-/m0/s1
(3)Std. InChIKey: ZVHNNCSUTNWKFC-NRFANRHFSA-N