CAS No.183673-66-7,4-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	183673-66-7
Name:	4-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER
Article Data:	8

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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Specification

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