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| CAS No.: | 832715-51-2 |
|---|---|
| Name: | Isopropyl 4-hydroxypiperidine-1-carboxylate |
| Molecular Structure: | |
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| Formula: | C9H17NO3 |
| Molecular Weight: | 187.239 |
| Synonyms: | 1-Methylethyl4-hydroxy-1-piperidinecarboxylate;4-Hydroxypiperidine-1-carboxylic acidisopropyl ester;Isopropyl 4-hydroxypiperidine-1-carboxylate;1-Piperidinecarboxylic acid, 4-hydroxy-, 1-methylethyl ester; |
| Density: | 1.131 g/cm3 |
| Boiling Point: | 283.7 °C at 760 mmHg |
| Flash Point: | 125.4 °C |
| PSA: | 49.77000 |
| LogP: | 0.92600 |
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Specification
The Isopropyl 4-hydroxypiperidine-1-carboxylate, with the CAS registry number 832715-51-2, is also called 1-Piperidinecarboxylic acid, 4-hydroxy-, 1-methylethyl ester. It belongs to the product category of Organic acids. And the molecular formula of the chemical is C9H17NO3.
The characteristics of Isopropyl 4-hydroxypiperidine-1-carboxylate are as followings: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.02; (8)ACD/KOC (pH 7.4): 33.02; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 48.39 cm3; (15)Molar Volume: 165.5 cm3; (16)Polarizability: 19.18×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.131 g/cm3; (19)Flash Point: 125.4 °C; (20)Enthalpy of Vaporization: 60.66 kJ/mol; (21)Boiling Point: 283.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000361 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)OC(=O)N1CCC(CC1)O
(2)InChI: InChI=1/C9H17NO3/c1-7(2)13-9(12)10-5-3-8(11)4-6-10/h7-8,11H,3-6H2,1-2H3
(3)InChIKey: UKVIBHRSFKWRPA-UHFFFAOYAS