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| CAS No.: | 189819-75-8 |
|---|---|
| Name: | 1-BOC-4-AMINO-PIPERIDINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C10H21ClN2O2 |
| Molecular Weight: | 236.742 |
| Synonyms: | 1-Piperidinecarboxylicacid, 4-amino-, 1,1-dimethylethyl ester, monohydrochloride (9CI);tert-Butyl 4-aminopiperidine-1-carboxylatehydrochloride;1-BOC-4-aminopiperidine hydrochloride;4-Aminopiperidine-1-carboxylic acidtert-butyl ester hydrochloride; |
| Boiling Point: | 277.3 °C at 760 mmHg |
| Flash Point: | 121.5 °C |
| Safety: | 24/25 |
| PSA: | 55.56000 |
| LogP: | 2.78480 |
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Specification
The 1-Piperidinecarboxylicacid, 4-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1), with the CAS registry number 189819-75-8, is also known as 2-Methyl-2-propanyl 4-amino-1-piperidinecarboxylate hydrochloride. This chemical's molecular formula is C10H21ClN2O2 and molecular weight is 236.7389. Its systematic name is called tert-butyl 4-aminopiperidine-1-carboxylate hydrochloride.
Physical properties of 1-Piperidinecarboxylicacid, 4-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1): (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): -2.37; (3)ACD/LogD (pH 7.4): -1.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Flash Point: 121.5 °C; (12)Enthalpy of Vaporization: 51.59 kJ/mol; (13)Boiling Point: 277.3 °C at 760 mmHg; (14)Vapour Pressure: 0.00456 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC(C)(C)C)N1CCC(N)CC1
(2)InChI: InChI=1/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;/h8H,4-7,11H2,1-3H3;1H
(3)InChIKey: KLOQZAJAQQKCNC-UHFFFAOYAF