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CAS No.: | 183673-66-7 |
---|---|
Name: | 4-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C26H30N2O6 |
Molecular Weight: | 466.534 |
Synonyms: | 1-(tert-Butoxycarbonyl)-4-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]piperidine-4-carboxylicacid;4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-1-(tert-butoxycarbonyl)piperidine-4-carboxylicacid;4-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]piperidine-1,4-dicarboxylicacid mono-tert-butyl ester; |
Density: | 1.31 g/cm3 |
Melting Point: | 80-82 °C |
Boiling Point: | 657.8 °C at 760 mmHg |
Flash Point: | 351.6 °C |
Appearance: | white to cream crystalline powder or chunks |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 105.17000 |
LogP: | 4.70820 |
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The N-Boc-4-(Fmoc-amino)piperidine-4-carboxylic acid is an organic compound with the formula C26H30N2O6. The IUPAC name of this chemical is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate. With the CAS registry number 183673-66-7, it is also named as 1-(tert-butoxycarbonyl)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}piperidine-4-carboxylic acid. The product's categories are Fmoc; Amino Acid Derivatives; Peptide Synthesis; Unnatural Amino Acid Derivatives. It is white to cream crystalline powder or chunks which should be sealed in the container and stored in the cool and dry place.
The other characteristics of N-Boc-4-(Fmoc-amino)piperidine-4-carboxylic acid can be summarized as: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 17.13; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 70.4; (8)ACD/KOC (pH 7.4): 2.22; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 85.38 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 125.08 cm3; (15)Molar Volume: 354.9 cm3; (16)Polarizability: 49.58×10-24 cm3; (17)Surface Tension: 61.5 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 351.6 °C; (20)Enthalpy of Vaporization: 101.74 kJ/mol; (21)Boiling Point: 657.8 °C at 760 mmHg; (22)Vapour Pressure: 3.37E-18 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)N4CCC(C(=O)O)(NC(=O)OCC3c1ccccc1c2ccccc23)CC4
2. InChI:InChI=1/C26H30N2O6/c1-25(2,3)34-24(32)28-14-12-26(13-15-28,22(29)30)27-23(31)33-16-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21H,12-16H2,1-3H3,(H,27,31)(H,29,30)
3. InChIKey:BOFOACPQHWDRLH-UHFFFAOYAB
4. Std. InChI:InChI=1S/C26H30N2O6/c1-25(2,3)34-24(32)28-14-12-26(13-15-28,22(29)30)27-23(31)33-16-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21H,12-16H2,1-3H3,(H,27,31)(H,29,30)
5. Std. InChIKey:BOFOACPQHWDRLH-UHFFFAOYSA-N