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| CAS No.: | 165528-81-4 |
|---|---|
| Name: | (2-PIPERIDIN-4-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C12H24N2O2 |
| Molecular Weight: | 228.335 |
| 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; |
| Density: | 0.971 g/cm3 |
| Boiling Point: | 337.3 °C at 760 mmHg |
| Flash Point: | 157.8 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 50.36000 |
| LogP: | 2.62050 |
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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