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Cas Database |
| Name |
N-Boc-1,2,3,6-tetrahydropyridine |
EINECS | N/A |
| CAS No. | 85838-94-4 | Density | 1.03 g/cm3 |
| PSA | 29.54000 | LogP | 2.12130 |
| Solubility | Insoluble in water. Soluble in organic solvents. | Melting Point |
N/A |
| Formula | C10H17NO2 | Boiling Point | 241.523 °C at 760 mmHg |
| Molecular Weight | 183.25 | Flash Point | 99.87 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1,1-Dimethylethyl3,6-dihydro-1(2H)-pyridinecarboxylate;3,6-Dihydro-2H-pyridine-1-carboxylicacid tert-butyl ester;N-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine;tert-Butyl 1,2,3,6-tetrahydro-1-pyridinecarboxylate;tert-Butyl3,6-dihydro-2H-pyridine-1-carboxylate;tert-Butyl3,6-dihydropyridine-1(2H)-carboxylate; |
Article Data | 54 |
N-Boc-1,2,3,6-tetrahydropyridine Chemical Properties
Empirical Formula of N-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine (CAS NO.85838-94-4): C10H17NO2
Molecular Weight: 183.2475
Nominal Mass: 183 Da
Average Mass: 183.2475 Da
Monoisotopic Mass: 183.125929 Da
Index of Refraction: 1.485
Molar Refractivity: 51.044 cm3
Molar Volume: 177.991 cm3
Surface Tension: 36.232 dyne/cm
Density: 1.03 g/cm3
Flash Point: 99.87 °C
Enthalpy of Vaporization: 47.848 kJ/mol
Boiling Point: 241.523 °C at 760 mmHg
Vapour Pressure: 0.036 mmHg at 25 °C
Structure of N-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine (CAS NO.85838-94-4):
IUPAC Name: tert-Butyl 3,6-dihydro-2H-pyridine-1-carboxylate
Canonical SMILES: CC(C)(C)OC(=O)N1CCC=CC1
InChI: InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-5H,6-8H2,1-3H3
InChIKey: SHHHRQFHCPINIB-UHFFFAOYSA-N
N-Boc-1,2,3,6-tetrahydropyridine Safety Profile
Hazard Codes of N-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine (CAS NO.85838-94-4): 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
N-Boc-1,2,3,6-tetrahydropyridine Specification
N-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine , its cas register number is 85838-94-4. It also can be called 3,6-Dihydro-2H-pyridine-1-carboxylicacid tert-butyl ester ; and N-BOC-1,2,3,6-Tetrahydropyridine .
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