Molecular Structure of 1-Boc-piperidin-4-ylidene-acetic acid (CAS NO.193085-24-4):
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 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.
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 .
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