N-Cbz-3-piperidinylcarboxaldehyde supplier

Name
3-FORMYL-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
EINECS
CAS No. 201478-72-0
Article Data8
CAS DataBase
Density 1.222 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₇NO₃
Boiling Point 384.503 °C at 760 mmHg
Molecular Weight 247.294
Flash Point 186.341 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Cbz-3-Piperidinecarboxaldehyde;benzyl 3-formylpiperidine-1-carboxylate;
PSA 46.61000
LogP 2.17200

N-Cbz-3-piperidinylcarboxaldehyde Specification

The N-Cbz-3-piperidinylcarboxaldehyde with the cas number 201478-72-0, is also called benzyl 3-formylpiperidine-1-carboxylate. The properties of the chemical are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 237; (8)ACD/KOC (pH 7.4): 237; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 68.672 cm³; (15)Molar Volume: 202.407 cm³; (16)Polarizability: 27.224×10^-24cm³; (17)Surface Tension: 55.873 dyne/cm; (18)Enthalpy of Vaporization: 63.318 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCCC(C=O)C2
(2)InChI: InChI=1/C14H17NO3/c16-10-13-7-4-8-15(9-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2

Product Name

3-FORMYL-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER

N-Cbz-3-piperidinylcarboxaldehyde Specification

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