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| CAS No.: | 56026-52-9 |
|---|---|
| Name: | Methyl 4-oxo-3-piperidinecarboxylate hydrochloride |
| Molecular Structure: | |
|
|
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| Formula: | C7H11NO3.HCl |
| Molecular Weight: | 193.63 |
| Synonyms: | 4-Oxopiperidine-3-carboxylic acid methyl ester;Methyl 4-oxo-3-piperidinecarboxylate;Methyl 4-piperidone-3-carboxylate; |
| EINECS: | 275-526-9 |
| Melting Point: | 177 °C |
| Boiling Point: | 249.4 °C at 760 mmHg |
| Flash Point: | 104.6 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 55.40000 |
| LogP: | 0.46880 |
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Specification
The CAS register number of Methyl 4-oxo-3-piperidinecarboxylate hydrochloride is 56026-52-9. It also can be called as 3-Piperidinecarboxylicacid, 4-oxo-, methyl ester and the systematic name about this chemical is methyl 4-oxopiperidine-3-carboxylate hydrochloride.
Physical properties about Methyl 4-oxo-3-piperidinecarboxylate hydrochloride are: (1)ACD/LogP: -0.57; (2)ACD/LogD (pH 5.5): -2.76; (3)ACD/LogD (pH 7.4): -1.08; (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): 3.64; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.61Å2; (12)Enthalpy of Vaporization: 48.66 kJ/mol; (13)Boiling Point: 249.4 °C at 760 mmHg; (14)Vapour Pressure: 0.023 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCNCC1C(=O)OC.Cl
(2)InChI: InChI=1/C7H11NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5,8H,2-4H2,1H3;1H
(3)InChIKey: NMAACQILAGCQPR-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H11NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5,8H,2-4H2,1H3;1H
(5)Std. InChIKey: NMAACQILAGCQPR-UHFFFAOYSA-N