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1,4-Piperidinedicarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester

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1,4-Piperidinedicarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester

EINECS N/A
CAS No. 189321-65-1 Density 1.18 g/cm3
PSA 105.17000 LogP 2.69420
Solubility N/A Melting Point N/A
Formula C16H28N2O6 Boiling Point 482.6 °C at 760 mmHg
Molecular Weight 344.408 Flash Point 245.7 °C
Transport Information N/A Appearance N/A
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 189321-65-1 (4-TERT-BUTOXYCARBONYLAMINO-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER) Hazard Symbols IrritantXi
Synonyms

1-(tert-Butoxycarbonyl)-4-(tert-butoxycarbonylamino)-4-piperidinecarboxylicacid;4-[(tert-Butoxycarbonyl)amino]piperidine-1,4-dicarboxylic acidmono-tert-butyl ester;

Article Data 2

1,4-Piperidinedicarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester 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

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