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| CAS No.: | 141774-61-0 |
|---|---|
| Name: | 2-(Boc-aminomethyl)-piperidine |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C11H22N2O2 |
| Molecular Weight: | 214.308 |
| Synonyms: | (Piperidin-2-ylmethyl)carbamic acid tert-butyl ester;2-[[(tert-Butoxycarbonyl)amino]methyl]piperidine;2-Boc-aminomethyl-piperidine;2-Methyl-2-propanyl (2-piperidinylmethyl)carbamate;Carbamic acid, N-(2-piperidinylmethyl)-, 1,1-dimethylethyl ester;tert-Butyl (piperidin-2-ylmethyl)carbamate; |
| Density: | 0.981 g/cm3 |
| Melting Point: | 93-97 °C |
| Boiling Point: | 321.8 °C at 760 mmHg |
| Flash Point: | 148.4 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38-41 |
| Safety: | 26-36-39 |
| PSA: | 50.36000 |
| LogP: | 2.37290 |
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Specification
The 2-(Boc-aminomethyl)-piperidine, with the CAS registry number 141774-61-0, has the systematic name of tert-butyl (piperidin-2-ylmethyl)carbamate. It belongs to the product categories of Pharmacetical and Piperidine. And the molecular formula of this chemical is C11H22N2O2.
The physical properties of 2-(Boc-aminomethyl)-piperidine are as following: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): -1.09; (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: 4; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 59.6 cm3; (15)Molar Volume: 218.4 cm3; (16)Polarizability: 23.62×10-24cm3; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 0.981 g/cm3; (19)Flash Point: 148.4 °C; (20)Enthalpy of Vaporization: 56.36 kJ/mol; (21)Boiling Point: 321.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00029 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. And it has the risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCC1NCCCC1
(2)InChI: InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)
(3)InChIKey: DIRUVVRMWMDZAE-UHFFFAOYAA