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3-N-Fmoc-aminomethyl piperidine

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Name

3-N-Fmoc-aminomethyl piperidine

EINECS N/A
CAS No. 672310-14-4 Density 1.147 g/cm3
PSA 50.36000 LogP 4.24440
Solubility N/A Melting Point N/A
Formula C21H24N2O2 Boiling Point 530.5 °C at 760 mmHg
Molecular Weight 336.4275 Flash Point 274.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 672310-14-4 (3-N-Fmoc-aminomethyl piperidine) Hazard Symbols N/A
Synonyms

3-N-Fmocaminomethylpiperidine;9H-Fluoren-9-ylmethyl (piperidin-3-ylmethyl)carbamate;Carbamic acid, N-(3-piperidinylmethyl)-, 9H-fluoren-9-ylmethyl ester;Piperidin-3-ylmethyl-carbamic acid 9H-fluoren-9-ylmethyl ester;

 

3-N-Fmoc-aminomethyl piperidine Specification

The systematic name of 3-N-Fmoc-aminomethyl piperidine is 9H-fluoren-9-ylmethyl (piperidin-3-ylmethyl)carbamate. With the CAS registry number 672310-14-4, it is also named as Piperidin-3-ylmethyl-carbamic acid 9H-fluoren-9-ylmethyl ester. In addition, its molecular formula is C21H24N2O2 and its molecular weight is 336.4275.

The other characteristics of 3-N-Fmoc-aminomethyl piperidine can be summarized as: (1)ACD/LogP: 3.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (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): 2.83; (8)ACD/KOC (pH 7.4): 4.09; (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: 1.579; (14)Molar Refractivity: 97.54 cm3; (15)Molar Volume: 293.2 cm3; (16)Polarizability: 38.66 ×10-24cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.147 g/cm3; (19)Flash Point: 274.6 °C; (20)Enthalpy of Vaporization: 80.58 kJ/mol; (21)Boiling Point: 530.5 °C at 760 mmHg; (22)Vapour Pressure: 2.45E-11 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)NCC4CCCNC4
(2)InChI: InChI=1/C21H24N2O2/c24-21(23-13-15-6-5-11-22-12-15)25-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20,22H,5-6,11-14H2,(H,23,24)
(3)InChIKey: WZHGXXJVKXQRNU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C21H24N2O2/c24-21(23-13-15-6-5-11-22-12-15)25-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20,22H,5-6,11-14H2,(H,23,24)
(5)Std. InChIKey: WZHGXXJVKXQRNU-UHFFFAOYSA-N

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