Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Boc-4-Isopropylaminopiperidine |
EINECS | N/A |
CAS No. | 534595-51-2 | Density | 0.99 g/cm3 |
PSA | 41.57000 | LogP | 2.71270 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H26N2O2 | Boiling Point | 317.6 °C at 760 mmHg |
Molecular Weight | 242.362 | Flash Point | 145.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Isopropylaminopiperidine-1-carboxylicacid tert-butyl ester;1-Boc-4-Isopropylaminopiperidine; |
Article Data | 9 |
The 1-Boc-4-Isopropylaminopiperidine with the cas number 534595-51-2 is also called 1-Piperidinecarboxylicacid, 4-[(1-methylethyl)amino]-, 1,1-dimethylethyl ester. The systematic name is tert-butyl 4-[(1-methylethyl)amino]piperidine-1-carboxylate. Its molecular formula is C13H26N2O2.
The properties of the chemical are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.38; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 41.57 Å2; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 69.54 cm3; (13)Molar Volume: 243.6 cm3; (14)Polarizability: 27.56×10-24cm3; (15)Surface Tension: 35.1 dyne/cm; (16)Enthalpy of Vaporization: 55.9 kJ/mol; (17)Vapour Pressure: 0.000381 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)NC1CCN(CC1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C13H26N2O2/c1-10(2)14-11-6-8-15(9-7-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
(3)InChIKey: GVPSIFSYYZXVQC-UHFFFAOYAB