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CAS No.: | 306934-84-9 |
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Name: | TERT-BUTYL 4-(4-METHOXYANILINO)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C17H26N2O3 |
Molecular Weight: | 306.405 |
Synonyms: | 4-(4-Methoxyphenylamino)piperidine-1-carboxylicacid tert-butyl ester;tert-Butyl4-[(4-methoxyphenyl)amino]piperidine-1-carboxylate; |
Density: | 1.119 g/cm3 |
Melting Point: | 82 °C |
Boiling Point: | 435.9 °C at 760 mmHg |
Flash Point: | 217.4 °C |
Solubility: | at 25 deg C (mg/L): 5.401 |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 50.80000 |
LogP: | 3.51750 |
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The 1-Piperidinecarboxylicacid, 4-[(4-methoxyphenyl)amino]-, 1,1-dimethylethyl ester, with the CAS registry number 306934-84-9, is also known as 4-[(4-Methoxyphenyl)amino]piperidine, N1-BOC protected. This chemical's molecular formula is C17H26N2O3 and molecular weight is 306.3999. Its systematic name is called tert-butyl 4-[(4-methoxyphenyl)amino]piperidine-1-carboxylate.
Physical properties of 1-Piperidinecarboxylicacid, 4-[(4-methoxyphenyl)amino]-, 1,1-dimethylethyl ester: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.25; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 25.81; (5)ACD/BCF (pH 7.4): 48.14; (6)ACD/KOC (pH 5.5): 297.76; (7)ACD/KOC (pH 7.4): 555.33; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 87.34 cm3; (13)Molar Volume: 273.6 cm3; (14)Surface Tension: 44.7 dyne/cm; (15)Density: 1.119 g/cm3; (16)Flash Point: 217.4 °C; (17)Enthalpy of Vaporization: 69.22 kJ/mol; (18)Boiling Point: 435.9 °C at 760 mmHg; (19)Vapour Pressure: 8.46E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCC(Nc1ccc(OC)cc1)CC2
(2)InChI: InChI=1/C17H26N2O3/c1-17(2,3)22-16(20)19-11-9-14(10-12-19)18-13-5-7-15(21-4)8-6-13/h5-8,14,18H,9-12H2,1-4H3
(3)InChIKey: ZSUFBKHEFBKBDJ-UHFFFAOYAM