N-Cbz-3-piperidineacetic acid methyl ester supplier

Name
METHYL N-CBZ-3-PIPERIDINEACETATE
EINECS
CAS No. 86827-08-9
Article Data2
CAS DataBase
Density 1.149g/cm³
Solubility
Melting Point 1.149 g/cm³
Formula C₁₆H₂₁NO₄
Boiling Point 402.9 °C at 760 mmHg
Molecular Weight 291.34
Flash Point 197.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl N-Cbz-3-piperidylacetate;
PSA 55.84000
LogP 2.53620

N-Cbz-3-piperidineacetic acid methyl ester Specification

The N-Cbz-3-piperidineacetic acid methyl ester is an organic compound with the formula C₁₆H₂₁NO₄. The IUPAC name of this chemical is benzyl 3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate. With the CAS registry number 86827-08-9, it is also named as Methyl 3-(N-Cbz-piperidinoxy)acetate.

Physical properties about this chemical are: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): 2.35; (3)ACD/LogD (pH 7.4): 2.35; (4)ACD/BCF (pH 5.5): 36.14; (5)ACD/BCF (pH 7.4): 36.14; (6)ACD/KOC (pH 5.5): 453.72; (7)ACD/KOC (pH 7.4): 453.72; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 55.84 Å²; (11)Index of Refraction: 1.526; (12) Molar Refractivity: 77.79 cm³; (13)Molar Volume: 253.3 cm³; (14)Polarizability: 30.84×10^-24cm³; (15)Surface Tension: 43.3 dyne/cm; (16)Density: 1.149 g/cm³; (17)Flash Point: 197.5 °C; (18)Enthalpy of Vaporization: 65.41 kJ/mol; (19)Boiling Point: 402.9 °C at 760 mmHg; (20)Vapour Pressure: 1.06E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCCC(CC(=O)OC)C2
(2)InChI: InChI=1/C16H21NO4/c1-20-15(18)10-14-8-5-9-17(11-14)16(19)21-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
(3)InChIKey: UZEBBOFZASZVBP-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C16H21NO4/c1-20-15(18)10-14-8-5-9-17(11-14)16(19)21-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
(5)Std. InChIKey: UZEBBOFZASZVBP-UHFFFAOYSA-N

Product Name

METHYL N-CBZ-3-PIPERIDINEACETATE

N-Cbz-3-piperidineacetic acid methyl ester Specification

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