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| CAS No.: | 193085-24-4 |
|---|---|
| Name: | 1-BOC-PIPERIDIN-4-YLIDENE-ACETIC ACID |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C12H19NO4 |
| Molecular Weight: | 241.287 |
| Synonyms: | 4-(Carboxymethylene)piperidine-1-carboxylicacid tert-butyl ester;1-Piperidinecarboxylicacid, 4-(carboxymethylene)-, 1-(1,1-dimethylethyl) ester; |
| Density: | 1.228 g/cm3 |
| Boiling Point: | 386.951 °C at 760 mmHg |
| Flash Point: | 187.822 °C |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 66.84000 |
| LogP: | 1.96620 |
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Chemistry
Molecular Structure of 1-Boc-piperidin-4-ylidene-acetic acid (CAS NO.193085-24-4):
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Systematic Name: [1-(tert-Butoxycarbonyl)piperidin-4-ylidene]acetic acid
SMILES: O=C(OC(C)(C)C)N1CC/C(=C/C(=O)O)CC1
InChI: InChI=1/C12H19NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey: PICPNXSVAVWVIC-UHFFFAOYAA
Empirical Formula: C12H19NO4
Molecular Weight: 241.2836
Nominal Mass: 241 Da
Average Mass: 241.2836 Da
Monoisotopic Mass: 241.131408 Da
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Index of Refraction: 1.564
Molar Refractivity: 63.886 cm3
Molar Volume: 196.535 cm3
Surface Tension: 55.03 dyne/cm
Density: 1.228 g/cm3
Flash Point: 187.822 °C
Enthalpy of Vaporization: 69.814 kJ/mol
Boiling Point: 386.951 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Safety Profile
Safety Information of 1-Boc-piperidin-4-ylidene-acetic acid (CAS NO.193085-24-4):
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Specification
1-Boc-piperidin-4-ylidene-acetic acid (CAS NO.193085-24-4), its Synonyms are 4-(Carboxymethylene)piperidine-1-carboxylicacid tert-butyl ester ; 1-Piperidinecarboxylicacid, 4-(carboxymethylene)-, 1-(1,1-dimethylethyl) ester ; 1-Boc-Piperidin-4-ylidene-acetic acid .