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1-Piperidinecarboxylicacid, 4-(1-pyrrolidinyl)-, 1,1-dimethylethyl ester

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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 Molecular Structure of 902837-26-7 (4-PYRROLIDIN-1-YL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER) 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

1-Piperidinecarboxylicacid, 4-(1-pyrrolidinyl)-, 1,1-dimethylethyl ester Specification

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

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