Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Piperidinecarboxylicacid, 4-(1-pyrrolidinyl)-, 1,1-dimethylethyl ester |
EINECS | N/A |
CAS No. | 902837-26-7 | Density | 1.068 g/cm3 |
PSA | 32.78000 | LogP | 2.35750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H26N2O2 | Boiling Point | 333.027 °C at 760 mmHg |
Molecular Weight | 254.373 | Flash Point | 155.209 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Boc-4-Pyrrolidin-1-yl-piperidine;4-(1-Pyrrolidinyl)-1-piperidinecarboxylicacid 1,1-dimethylethyl ester;1-Piperidinecarboxylic acid, 4-(1-pyrrolidinyl)-, 1,1-diMethylethyl ester |
Article Data | 1 |
The 1-Piperidinecarboxylicacid, 4-(1-pyrrolidinyl)-, 1,1-dimethylethyl ester, with CAS registry number 902837-26-7, has the systematic name of tert-butyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate. And the chemical formula of this chemical is C14H26N2O2.
Physical properties of 1-Piperidinecarboxylicacid, 4-(1-pyrrolidinyl)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.008; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.141; (8)#H bond acceptors: 4; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 32.78 Å2; (12)Index of Refraction: 1.512; (13)Molar Refractivity: 71.497 cm3; (14)Molar Volume: 238.127 cm3; (15)Polarizability: 28.344×10-24cm3; (16)Surface Tension: 41.444 dyne/cm; (17)Enthalpy of Vaporization: 57.585 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(CC1)N2CCCC2
(2)InChI: InChI=1/C14H26N2O2/c1-14(2,3)18-13(17)16-10-6-12(7-11-16)15-8-4-5-9-15/h12H,4-11H2,1-3H3
(3)InChIKey: KJJXFFZNVKNQAC-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-10-6-12(7-11-16)15-8-4-5-9-15/h12H,4-11H2,1-3H3
(5)Std. InChIKey: KJJXFFZNVKNQAC-UHFFFAOYSA-N