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| CAS No.: | 663172-78-9 |
|---|---|
| Name: | tert-butyl 6-hydroxy-3-azabicyclo[3.2.0]heptane-3-carboxylate |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H19NO3 |
| Molecular Weight: | 213.277 |
| Synonyms: | tert-Butyl6-hydroxy-3-azabicyclo[3.2.0]heptane-3-carboxylate; |
| Density: | 1.182 g/cm3 |
| Boiling Point: | 310.335 °C at 760 mmHg |
| Flash Point: | 141.486 °C |
| PSA: | 49.77000 |
| LogP: | 1.17200 |
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Specification
The tert-Butyl 6-hydroxy-3-azabicyclo[3.2.0]heptane-3-carboxylate with the CAS number 663172-78-9 is also called 3-Azabicyclo[3.2.0]heptane-3-carboxylicacid, 6-hydroxy-, 1,1-dimethylethyl ester. Its molecular formula is C11H19NO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the tert-Butyl 6-hydroxy-3-azabicyclo[3.2.0]heptane-3-carboxylate are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29; (8)ACD/KOC (pH 7.4): 29; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.77 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 55.694 cm3; (15)Molar Volume: 180.443 cm3; (16)Polarizability: 22.079×10-24cm3; (17)Surface Tension: 46.252 dyne/cm; (18)Enthalpy of Vaporization: 63.91 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC2CC(O)C2C1
(2)InChI: InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-5-7-4-9(13)8(7)6-12/h7-9,13H,4-6H2,1-3H3
(3)InChIKey: UCFRPUSUNQPJRS-UHFFFAOYAI