CAS No.315717-76-1,3-Aminomethyl-1-N-Cbz-piperidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	315717-76-1
Name:	3-Aminomethyl-1-N-Cbz-piperidine
Article Data:	3

Formula:	C₁₄H₂₀N₂O₂
Molecular Weight:	248.325
Synonyms:	Benzyl 3-(aminomethyl)piperidine-1-carboxylate;1-Cbz-3-(Aminomethyl)piperidine;
Density:	1.125 g/cm³
Boiling Point:	385.7 °C at 760 mmHg
Flash Point:	187.1 °C
Risk Codes:	36
Safety:	26
PSA:	55.56000
LogP:	2.63210

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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