4-(2-Boc-aminoethyl)piperidine supplier

Name
(2-PIPERIDIN-4-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 165528-81-4
Article Data1
CAS DataBase
Density 0.971 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₄N₂O₂
Boiling Point 337.3 °C at 760 mmHg
Molecular Weight 228.335
Flash Point 157.8 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Carbamicacid, [2-(4-piperidinyl)ethyl]-, 1,1-dimethylethyl ester (9CI);(2-Piperidin-4-ylethyl)carbamic acid tert-butyl ester;tert-ButylN-[2-(4-piperidinyl)ethyl]carbamate;tert-Butyl[2-(piperidin-4-yl)ethyl]carbamate;4-(Boc-Aminoethyl)piperidine;
PSA 50.36000
LogP 2.62050

4-(2-Boc-aminoethyl)piperidine Specification

The Carbamic acid,N-[2-(4-piperidinyl)ethyl]-, 1,1-dimethylethyl ester with the CAS number 165528-81-4 is also called (2-Piperidin-4-ylethyl)carbamic acid tert-butyl ester. The IUPAC name is tert-butyl N-(2-piperidin-4-ylethyl)carbamate. Its molecular formula is C₁₂H₂₄N₂O₂. The product category is Pharmacetical. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Carbamic acid,N-[2-(4-piperidinyl)ethyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.31; (4)ACD/LogD (pH 7.4): -1.22; (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)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 64.23 cm³; (15)Molar Volume: 234.9 cm³; (16)Polarizability: 25.46×10^-24cm³; (17)Surface Tension: 33.1 dyne/cm; (18)Enthalpy of Vaporization: 58.06 kJ/mol; (19)Vapour Pressure: 0.000106 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCCC1CCNCC1
(2)InChI: InChI=1/C12H24N2O2/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10/h10,13H,4-9H2,1-3H3,(H,14,15)
(3)InChIKey: RQRMFFGCUUGYPC-UHFFFAOYAE

Product Name

(2-PIPERIDIN-4-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER

4-(2-Boc-aminoethyl)piperidine Specification

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