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

Name
4-PYRROLIDIN-1-YL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 902837-26-7
Article Data1
CAS DataBase
Density 1.068 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₆N₂O₂
Boiling Point 333.027 °C at 760 mmHg
Molecular Weight 254.373
Flash Point 155.209 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 32.78000
LogP 2.35750

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

Product Name

4-PYRROLIDIN-1-YL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

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

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