4-Piperidinecarboxylic acid tert-butyl ester supplier

Name
4-Piperidinecarboxylicacidt-butylesterHCl
EINECS
CAS No. 138007-24-6
Article Data5
CAS DataBase
Density 0.976 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₉NO₂
Boiling Point 241 °C at 760 mmHg
Molecular Weight 185.266
Flash Point 99.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(tert-Butoxycarbonyl)piperidine;
PSA 38.33000
LogP 2.45850

4-Piperidinecarboxylic acid tert-butyl ester Specification

The 4-Piperidinecarboxylic acid tert-butyl ester, with the CAS registry number 138007-24-6, is also known as 4-(tert-Butoxycarbonyl)piperidine. It belongs to the product categorie of pharmacetical. This chemical's molecular formula is C₁₀H₁₉NO₂and molecular weight is 185.26. What's more, its systematic name is tert-Butyl piperidine-4-carboxylate.

Physical properties about 4-Piperidinecarboxylic acid tert-butyl ester are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.48; (4)ACD/LogD (pH 7.4): -1.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 51.22 cm³; (15)Molar Volume: 189.6 cm³; (16)Polarizability: 20.3×10^-24 cm³; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.976 g/cm³; (19)Flash Point: 99.5 °C; (20)Enthalpy of Vaporization: 47.79 kJ/mol; (21)Boiling Point: 241 °C at 760 mmHg; (22)Vapour Pressure: 0.0369 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)C1CCNCC1
(2) InChI: InChI=1/C10H19NO2/c1-10(2,3)13-9(12)8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3
(3) InChIKey: FUYBPBOHNIHCHM-UHFFFAOYAZ

Product Name

4-Piperidinecarboxylicacidt-butylesterHCl

4-Piperidinecarboxylic acid tert-butyl ester Specification

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