Name: 4-(AMINOMETHYL)-1-N-FMOC-PIPERIDINE
SKU: 391248-14-9

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Basic Information

Molecular Structure:
CAS No.:	391248-14-9
Name:	4-(AMINOMETHYL)-1-N-FMOC-PIPERIDINE

Formula:	C₂₁H₂₅ClN₂O₂
Molecular Weight:	372.16
Synonyms:	1-Piperidinecarboxylicacid, 4-(aminomethyl)-, 9H-fluoren-9-ylmethyl ester, monohydrochloride (9CI);
Boiling Point:	509.2 °C at 760 mmHg
Flash Point:	261.7 °C
PSA:	55.56000
LogP:	5.04640

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Specification

The 1-Piperidinecarboxylicacid, 4-(aminomethyl)-, 9H-fluoren-9-ylmethyl ester, hydrochloride (1:1), with CAS registry number 391248-14-9, has the systematic name of 9H-fluoren-9-ylmethyl 4-(aminomethyl)piperidine-1-carboxylate hydrochloride. Besides this, it is also called 4-(Aminomethyl)-1-n-fmoc-piperidine. And the chemical formula of this chemical is C₂₁H₂₅ClN₂O₂.

Physical properties of 1-Piperidinecarboxylicacid, 4-(aminomethyl)-, 9H-fluoren-9-ylmethyl ester, hydrochloride (1:1): (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.35; (8)ACD/KOC (pH 7.4): 4.36; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 32.78 Å²; (13)Flash Point: 261.7 °C; (14)Enthalpy of Vaporization: 77.97 kJ/mol; (15)Boiling Point: 509.2 °C at 760 mmHg; (16)Vapour Pressure: 1.74E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)N4CCC(CN)CC4.Cl
(2)InChI: InChI=1/C21H24N2O2.ClH/c22-13-15-9-11-23(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;/h1-8,15,20H,9-14,22H2;1H
(3)InChIKey: XJPZHAOBBSZRGF-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C21H24N2O2.ClH/c22-13-15-9-11-23(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;/h1-8,15,20H,9-14,22H2;1H
(5)Std. InChIKey: XJPZHAOBBSZRGF-UHFFFAOYSA-N