Name: (S)-1-(TERT-BUTOXYCARBONYL)-2-AZETIDINEMETHANOL
SKU: 161511-85-9

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Basic Information

Molecular Structure:
CAS No.:	161511-85-9
Name:	(S)-1-(TERT-BUTOXYCARBONYL)-2-AZETIDINEMETHANOL
Article Data:	29

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