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CAS No.: | 161511-90-6 |
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Name: | (R)-1-(TERT-BUTOXYCARBONYL)-2-AZETIDINEMETHANOL |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H17NO3 |
Molecular Weight: | 187.239 |
Synonyms: | 1-Azetidinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (R)-;(2R)-1-Boc-2-(hydroxymethyl)azetidine;(R)-1-(tert-Butoxycarbonyl)-2-azetidinemethanol; |
Density: | 1.116 g/cm3 |
Boiling Point: | 270.349 °C at 760 mmHg |
Flash Point: | 117.303 °C |
PSA: | 49.77000 |
LogP: | 0.92600 |
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The 1-Azetidinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R)- is an organic compound with the formula C9H17NO3. The systematic name of this chemical is Tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate. With the CAS registry number 161511-90-6, it is also named as (R)-2-Hydroxymethyl-azetidine-1-carboxylic acid tert-butyl ester. The product's categories are Azetidines; Chiral building blocks; Glycidyl compounds, etc. (Chiral); Simple 4-Membered ring compounds; Synthetic organic chemistry. Besides, its molecular weight is 187.24.
Physical properties about 1-Azetidinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R)- are: (1)ACD/LogP: 0.55; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 21; (5)ACD/KOC (pH 7.4): 21; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 49.77 Å2; (10)Index of Refraction: 1.489; (11)Molar Refractivity: 48.445 cm3; (12)Molar Volume: 167.792 cm3; (13)Polarizability: 19.205×10-24 cm3; (14)Surface Tension: 40.768 dyne/cm; (15)Density: 1.116 g/cm3; (16)Flash Point: 117.303 °C; (17)Enthalpy of Vaporization: 59.044 kJ/mol; (18)Boiling Point: 270.349 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m1/s1
(2)InChIKey: XIRUXUKRGUFEKC-SSDOTTSWBE
(3)Std. InChI: InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m1/s1
(4)Std. InChIKey: XIRUXUKRGUFEKC-SSDOTTSWSA-N