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| CAS No.: | 142643-29-6 |
|---|---|
| Name: | 3-N-Boc-Aminomethylpiperidine |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C11H22N2O2 |
| Molecular Weight: | 214.308 |
| Synonyms: | 3-(Boc-aminomethyl)piperidine;3-(N-BOC-aminomethyl)piperidine;(R,S)-(Boc-3-aminomethyl)-piperidine;tert-butyl piperidin-3-ylmethylcarbamate;3-Boc-aminomethyl-piperidine;3-Aminopiperidine, 3-BOC protected;3-(Boc-aminomethyl)piperidine, 97%;tert-butyl N-[[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]methyl]carbamate; |
| Density: | 0.981 g/cm3 |
| Melting Point: | 60-70 °C |
| Boiling Point: | 321.8 °C at 760 mmHg |
| Flash Point: | 148.4 °C |
| Appearance: | Off-white solid |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3259 8/PG 2 |
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Specification
The 3-N-Boc-Aminomethylpiperidine, with the CAS registry number 142643-29-6, is also known as 3-(Boc-aminomethyl)piperidine. It belongs to the product categories of Pharmacetical; Amines; Pyrans, Piperidines & Piperazines; Piperidine; API intermediates. This chemical's molecular formula is C11H22N2O2 and molecular weight is 214.30. What's more, its IUPAC name is tert-butyl N-(piperidin-3-ylmethyl)carbamate.
Physical properties of 3-N-Boc-Aminomethylpiperidine are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.55; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 32.78 Å2; (11)Index of Refraction: 1.457; (12)Molar Refractivity: 59.6 cm3; (13)Molar Volume: 218.4 cm3; (14)Surface Tension: 33.1 dyne/cm; (15)Density: 0.981 g/cm3; (16)Flash Point: 148.4 °C; (17)Enthalpy of Vaporization: 56.36 kJ/mol; (18)Boiling Point: 321.8 °C at 760 mmHg; (19)Vapour Pressure: 0.00029 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NCC1CCCNC1
(2)InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)
(3)InChIKey: KHPQHXGYYXYTDN-UHFFFAOYSA-N