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N-Boc-piperidine-3-ethylamine

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Name

N-Boc-piperidine-3-ethylamine

EINECS N/A
CAS No. 259180-77-3 Density 1.01 g/cm3
PSA 55.56000 LogP 2.62050
Solubility N/A Melting Point N/A
Formula C12H24N2O2 Boiling Point 316 °C at 760 mmHg
Molecular Weight 228.335 Flash Point 144.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 259180-77-3 (N-Boc-piperidine-3-ethylamine) Hazard Symbols Xn,N
Synonyms

3-(2-Aminoethyl)-1-(tert-butoxycarbonyl)piperidine;3-(2-Aminoethyl)piperidine-1-carboxylic acid tert-butyl ester;

 

N-Boc-piperidine-3-ethylamine Specification

The N-Boc-piperidine-3-ethylamine, with the CAS registry number 259180-77-3, is also known as 1-Piperidinecarboxylic acid, 3-(2-aminoethyl)-, 1,1-dimethylethyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C12H24N2O2 and molecular weight is 228.33. Its IUPAC name is called tert-butyl 3-(2-aminoethyl)piperidine-1-carboxylate.

Physical properties of N-Boc-piperidine-3-ethylamine: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.79; (4)ACD/LogD (pH 7.4): -1.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.481; (13)Molar Refractivity: 64.3 cm3; (14)Molar Volume: 225.9 cm3; (15)Surface Tension: 36.9 dyne/cm; (16)Density: 1.01 g/cm3; (17)Flash Point: 144.9 °C; (18)Enthalpy of Vaporization: 55.73 kJ/mol; (19)Boiling Point: 316 °C at 760 mmHg; (20)Vapour Pressure: 0.000422 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)CCN
(2)InChI: InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9,13H2,1-3H3
(3)InChIKey: GYLAYRXNMUUXJS-UHFFFAOYSA-N

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