3-N-Fmoc-aminomethyl piperidine supplier

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

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

Product Name

3-N-Fmoc-aminomethyl piperidine

3-N-Fmoc-aminomethyl piperidine Specification

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