Basic Information | Post buying leads | Suppliers | Cas Database |
The BOC-HYP-OH, with the CAS registry number 331442-12-7, is also known as 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) ester, (2S,4R)-. This chemical's molecular formula is C10H17NO5 and molecular weight is 231.25. Its IUPAC name is called (4R)-1-(tert-butoxycarbonyl)-4-hydroxy-L-proline. When you are using this chemical, please be cautious about it. You should not breathe its dust. Besides, you must avoid contacting it with skin and eyes.
Physical properties of BOC-HYP-OH: (1)ACD/LogP: -0.71; (2)ACD/LogD (pH 5.5): -2.42; (3)ACD/LogD (pH 7.4): -4.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 54.52 cm3; (13)Molar Volume: 176.1 cm3; (14)Surface Tension: 57 dyne/cm; (15)Density: 1.312 g/cm3; (16)Flash Point: 190.2 °C; (17)Enthalpy of Vaporization: 74.05 kJ/mol; (18)Boiling Point: 390.9 °C at 760 mmHg; (19)Vapour Pressure: 9.99E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@H](C(=O)O)C[C@@H](O)C1
(2)InChI: InChI=1/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m1/s1
(3)InChIKey: BENKAPCDIOILGV-RQJHMYQMBR