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CAS No.: | 392331-66-7 |
---|---|
Name: | tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C11H22N2O3 |
Molecular Weight: | 230.307 |
Synonyms: | 1-Piperidinecarboxylic acid, 4-(aminomethyl)-4-hydroxy-, 1,1-dimethylethyl ester; |
Density: | 1.124 g/cm3 |
Boiling Point: | 341 °C at 760 mmHg |
Flash Point: | 160 °C |
Solubility: | Slightly soluble in water. |
PSA: | 75.79000 |
LogP: | 1.34530 |
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The tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate, with the CAS registry number 392331-66-7, is also known as 1-Piperidinecarboxylic acid, 4-(aminomethyl)-4-hydroxy-, 1,1-dimethylethyl ester. This chemical's molecular formula is C11H22N2O3 and molecular weight is 230.30. Its systematic name is called tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate.
Physical properties of tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate: (1)ACD/LogP: 0.01; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Index of Refraction: 1.508; (10)Molar Refractivity: 61.16 cm3; (11)Molar Volume: 204.8 cm3; (12)Surface Tension: 45.5 dyne/cm; (13)Density: 1.124 g/cm3; (14)Flash Point: 160 °C; (15)Enthalpy of Vaporization: 67.72 kJ/mol; (16)Boiling Point: 341 °C at 760 mmHg; (17)Vapour Pressure: 5.46E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(O)(CC1)CN
(2)InChI: InChI=1/C11H22N2O3/c1-10(2,3)16-9(14)13-6-4-11(15,8-12)5-7-13/h15H,4-8,12H2,1-3H3
(3)InChIKey: XYWCDAFPRBDRER-UHFFFAOYAC