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| CAS No.: | 811841-86-8 |
|---|---|
| Name: | 3-AMINO-1-N-FMOC-PIPERIDINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C20H22N2O2·ClH |
| Molecular Weight: | 358.87 |
| Synonyms: | 1-Piperidinecarboxylicacid, 3-amino-, 9H-fluoren-9-ylmethyl ester, monohydrochloride (9CI);9H-Fluoren-9-ylmethyl 3-aminopiperidine-1-carboxylate hydrochloride;3-Amino-piperidine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester hydrochloride; |
| Boiling Point: | 494.3 °C at 760 mmHg |
| Flash Point: | 252.8 °C |
| Safety: | 24/25 |
| PSA: | 55.56000 |
| LogP: | 4.79880 |
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Specification
The 1-Piperidinecarboxylicacid, 3-amino-, 9H-fluoren-9-ylmethyl ester, hydrochloride (1:1), with the CAS registry number 811841-86-8, is also known as 3-Amino-piperidine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester hydrochloride. This chemical's molecular formula is C20H22N2O2·ClH and molecular weight is 358.87. What's more, its systematic name is 9H-fluoren-9-ylmethyl 3-aminopiperidine-1-carboxylate hydrochloride.
Physical properties of 1-Piperidinecarboxylicacid, 3-amino-, 9H-fluoren-9-ylmethyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.09; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 7.78; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å2; (13)Flash Point: 252.8 °C; (14)Enthalpy of Vaporization: 76.17 kJ/mol; (15)Boiling Point: 494.3 °C at 760 mmHg; (16)Vapour Pressure: 6.51E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)N4CCCC(N)C4.Cl
(2)Std. InChI: InChI=1S/C20H22N2O2.ClH/c21-14-6-5-11-22(12-14)20(23)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19;/h1-4,7-10,14,19H,5-6,11-13,21H2;1H
(3)Std. InChIKey: LPSUTMIBYMBPSC-UHFFFAOYSA-N