CAS No.189321-65-1,4-TERT-BUTOXYCARBONYLAMINO-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	189321-65-1
Name:	4-TERT-BUTOXYCARBONYLAMINO-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER
Article Data:	2

Formula:	C₁₆H₂₈N₂O₆
Molecular Weight:	344.408
Synonyms:	1-(tert-Butoxycarbonyl)-4-(tert-butoxycarbonylamino)-4-piperidinecarboxylicacid;4-[(tert-Butoxycarbonyl)amino]piperidine-1,4-dicarboxylic acidmono-tert-butyl ester;
Density:	1.18 g/cm³
Boiling Point:	482.6 °C at 760 mmHg
Flash Point:	245.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	105.17000
LogP:	2.69420

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Specification

The 1,4-Piperidinedicarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester, with the CAS registry number 189321-65-1, is also known as 1-Boc-(4-N-Boc-amino)piperidine-4 carboxylic acid. It belongs to the product category of Amino Acid Derivatives. This chemical's molecular formula is C₁₆H₂₈N₂O₆ and molecular weight is 344.4033. Its IUPAC name is called 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate.

Physical properties of 1,4-Piperidinedicarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester: (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): 0.18; (3)ACD/LogD (pH 7.4): -1.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.73; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 87 cm³; (13)Molar Volume: 289.4 cm³; (14)Surface Tension: 47 dyne/cm; (15)Density: 1.18 g/cm³; (16)Flash Point: 245.7 °C; (17)Enthalpy of Vaporization: 81.88 kJ/mol; (18)Boiling Point: 482.6 °C at 760 mmHg; (19)Vapour Pressure: 1.22E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)[O-]
(2)InChI: InChI=1S/C16H28N2O6/c1-14(2,3)23-12(21)17-16(11(19)20)7-9-18(10-8-16)13(22)24-15(4,5)6/h7-10H2,1-6H3,(H,17,21)(H,19,20)/p-1
(3)InChIKey: AFEAWYLBSVKOAY-UHFFFAOYSA-M