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3-Aminomethyl-1-N-Cbz-piperidine

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Name

3-Aminomethyl-1-N-Cbz-piperidine

EINECS N/A
CAS No. 315717-76-1 Density 1.125 g/cm3
PSA 55.56000 LogP 2.63210
Solubility N/A Melting Point N/A
Formula C14H20N2O2 Boiling Point 385.7 °C at 760 mmHg
Molecular Weight 248.325 Flash Point 187.1 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 315717-76-1 (3-Aminomethyl-1-N-Cbz-piperidine) Hazard Symbols N/A
Synonyms

Benzyl 3-(aminomethyl)piperidine-1-carboxylate;1-Cbz-3-(Aminomethyl)piperidine;

Article Data 3

3-Aminomethyl-1-N-Cbz-piperidine Specification

The 3-Aminomethyl-1-N-Cbz-piperidine with the cas number 315717-76-1 is also called 1-Piperidinecarboxylicacid, 3-(aminomethyl)-, phenylmethyl ester. Both the systematic name and IUPAC name are benzyl 3-(aminomethyl)piperidine-1-carboxylate. Its molecular formula is C14H20N2O2. This chemical belongs to the following product categories: (1)Aminomethyl's; (2)Pyrans, Piperidines &Piperazines.

The properties of the chemical are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.58; (4)ACD/LogD (pH 7.4): -1.06; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 70.29 cm3; (15)Molar Volume: 220.5 cm3; (16)Polarizability: 27.86×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Enthalpy of Vaporization: 63.45 kJ/mol; (19)Vapour Pressure: 3.73×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCCC(CN)C2
(2)InChI: InChI=1/C14H20N2O2/c15-9-13-7-4-8-16(10-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,15H2
(3)InChIKey: PAIJQGYSIGOWOF-UHFFFAOYAE

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