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| CAS No.: | 161511-85-9 |
|---|---|
| Name: | (S)-1-(TERT-BUTOXYCARBONYL)-2-AZETIDINEMETHANOL |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C9H17NO3 |
| Molecular Weight: | 187.239 |
| Synonyms: | 1-Azetidinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (S)-;(S)-1-(tert-Butoxycarbonyl)-2-azetidinemethanol;(S)-2-Hydroxymethylazetidine-1-carboxylic acid tert-butyl ester;(S)-N-tert-Butoxycarbonyl-2-hydroxymethylazetidine;tert-Butyl(2S)-2-(hydroxymethyl)azetidine-1-carboxylate; |
| Density: | 1.116 g/cm3 |
| Boiling Point: | 270.349 °C at 760 mmHg |
| Flash Point: | 117.303 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 49.77000 |
| LogP: | 0.92600 |
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Specification
The CAS register number of tert-Butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate is 161511-85-9. It also can be called as 1-Azetidinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S)- and the systematic name about this chemical is tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate. The molecular formula about this chemical is C9H17NO3 and the molecular weight is 187.24. It belongs to the following product categories, such as Azetidines; Chiral Building Blocks; Glycidyl Compounds, etc. (Chiral); Simple 4-Membered Ring Compounds; Synthetic Organic Chemistry and so on.
Physical properties about tert-Butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate 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: 49.77Å2; (10)Index of Refraction: 1.489; (11)Molar Refractivity: 48.445 cm3; (12)Molar Volume: 167.792 cm3; (13)Polarizability: 19.205x10-24cm3; (14)Surface Tension: 40.768 dyne/cm; (15)Enthalpy of Vaporization: 59.044 kJ/mol; (16)Boiling Point: 270.349 °C at 760 mmHg; (17)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC[C@@H]1CO
(2)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
(3)InChIKey: XIRUXUKRGUFEKC-SSDOTTSWBE
(4)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
(5)Std. InChIKey: XIRUXUKRGUFEKC-SSDOTTSWSA-N