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| CAS No.: | 16444-19-2 |
|---|---|
| Name: | Norglipin |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C21H23NO3 |
| Molecular Weight: | 337.41 |
| Synonyms: | 1aH,5aH-Nortropan-3a-ol, benzilate (ester) (8CI);Benzeneacetic acid, a-hydroxy-a-phenyl-,8-azabicyclo[3.2.1]oct-3-yl ester, endo-;Benzilic acid, 1aH,5aH-nortropan-3a-yl ester (8CI);Norglipin; |
| EINECS: | 605-360-8 |
| Density: | 1.249 g/cm3 |
| Boiling Point: | 450.118 °C at 760 mmHg |
| Flash Point: | 226.023 °C |
| PSA: | 58.56000 |
| LogP: | 3.07750 |
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- Total:23 Page 1 of 1 1
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Specification
The Norglipin with the cas number 16444-19-2 is also called Benzeneacetic acid, a-hydroxy-a-phenyl-,(3-endo)-8-azabicyclo[3.2.1]oct-3-yl ester. The systematic name is 8-azabicyclo[3.2.1]oct-3-yl hydroxy(diphenyl)acetate. Its molecular formula is C21H23NO3. This chemical belongs to the following product categories: (1)Amines; (2)Aromatics; (3)Heterocycles. It is intermediate for the preparation of Trospium Chloride.
The properties of the chemical are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 1.84; (8)ACD/KOC (pH 7.4): 6.84; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 96.04 cm3; (15)Molar Volume: 270 cm3; (16)Polarizability: 38.07×10-24cm3; (17)Surface Tension: 56.4 dyne/cm; (18)Enthalpy of Vaporization: 74.71 kJ/mol; (19)Vapour Pressure: 6.88×10-9 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC2CC1NC(CC1)C2)C(O)(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C21H23NO3/c23-20(25-19-13-17-11-12-18(14-19)22-17)21(24,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22,24H,11-14H2
(3)InChIKey: HIIVXBCWDPCZJA-UHFFFAOYAJ