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| CAS No.: | 81323-58-2 |
|---|---|
| Name: | NW-09-15-1 |
| Molecular Structure: | |
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| Formula: | C13H25NO5 |
| Molecular Weight: | 275.345 |
| Synonyms: | (S)-Tert-butyl 2-(tert-butoxycarbonylamino)-4-hydroxybutanoate; |
| Density: | 1.072 g/cm3 |
| Boiling Point: | 393.353 °C at 760 mmHg |
| Flash Point: | 191.693 °C |
| PSA: | 84.86000 |
| LogP: | 1.99470 |
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Specification
The NW-09-15-1, with the CAS registry number 81323-58-2, is also known as (S)-Tert-butyl 2-(tert-butoxycarbonylamino)-4-hydroxybutanoate. This chemical's molecular formula is C13H25NO5 and molecular weight is 275.342. What's more, its IUPAC name is called Tert-butyl N-(tert-butoxycarbonyl)-L-homoserinate.
Physical properties about NW-09-15-1 are: (1)ACD/LogP: 1.71; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 48; (6)ACD/BCF (pH 7.4): 48; (7)ACD/KOC (pH 5.5): 556; (8)ACD/KOC (pH 7.4): 556; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 84.86 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 70.846 cm3; (15)Molar Volume: 256.883 cm3; (16)Surface Tension: 36.425 dyne/cm; (17)Density: 1.072 g/cm3; (18)Flash Point: 191.693 °C; (19)Enthalpy of Vaporization: 74.368 kJ/mol; (20)Boiling Point: 393.353 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OC(C)(C)C)CCO
(2) InChI: InChI=1/C13H25NO5/c1-12(2,3)18-10(16)9(7-8-15)14-11(17)19-13(4,5)6/h9,15H,7-8H2,1-6H3,(H,14,17)/t9-/m0/s1
(3) InChIKey: WFSWHDJTFHDJFE-VIFPVBQEBT