Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl N-Boc-4-piperidinepropionate |
EINECS | N/A |
CAS No. | 162504-75-8 | Density | 1.048 g/cm3 |
PSA | 55.84000 | LogP | 2.52460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H25NO4 | Boiling Point | 339.2 °C at 760 mmHg |
Molecular Weight | 271.357 | Flash Point | 158.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(N-Boc-piperidin-4-yl)propionicacid methyl ester;Methyl 3-(1-tert-butoxylcarbonyl-4-piperidyl)propanoate;tert-Butyl 4-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate;1-Boc-4-piperidinylpropionic acid methyl ester; |
Article Data | 7 |
The Methyl N-Boc-4-piperidinepropionate, with the CAS registry number 162504-75-8, is also known as N-Boc-4-Piperidinylpropionic acid methyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C14H25NO4 and molecular weight is 271.35. What's more, both its IUPAC name and systematic name are the same which is called tert-Butyl 4-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate.
Physical properties about Methyl N-Boc-4-piperidinepropionate are: (1) ACD/LogP: 1.97; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.97; (4) ACD/LogD (pH 7.4): 1.97; (5) ACD/BCF (pH 5.5): 18.58; (6) ACD/BCF (pH 7.4): 18.58; (7) ACD/KOC (pH 5.5): 281.81; (8) ACD/KOC (pH 7.4): 281.81; (9) #H bond acceptors: 5; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 55.84 Å2; (13) Index of Refraction: 1.467; (14) Molar Refractivity: 71.8 cm3; (15) Molar Volume: 258.7 cm3; (16) Surface Tension: 35.7 dyne/cm; (17) Density: 1.048 g/cm3; (18) Flash Point: 158.9 °C; (19) Enthalpy of Vaporization: 58.26 kJ/mol; (20) Boiling Point: 339.2 °C at 760 mmHg; (21) Vapour Pressure: 9.35E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N1CCC(CC1)CCC(=O)OC
(2) InChI:InChI=1/C14H25NO4/c1-14(2,3)19-13(17)15-9-7-11(8-10-15)5-6-12(16)18-4/h11H,5-10H2,1-4H3
(3) InChIKey: RWDYQFGCHAJYOJ-UHFFFAOYAZ