Product Name

  • Name

    2-HYDROXYMETHYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

  • EINECS
  • CAS No. 174346-82-8
  • Article Data6
  • CAS DataBase
  • Density 1.116g/cm3
  • Solubility
  • Melting Point 132-135
  • Formula C9H17NO3
  • Boiling Point 270.349 °C at 760 mmHg
  • Molecular Weight 187.239
  • Flash Point 117.303 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 174346-82-8 (2-HYDROXYMETHYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER)
  • Hazard Symbols
  • Synonyms 2-HYDROXYMETHYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;[1-(TERT-BUTOXYCARBONYL)AZETIDIN-2-YL]METHANOL;1-BOC-2-HYDROXYMETHYL-AZETIDINE;1-Boc-2-azetidinemethanol;N-Boc-2-azetidinemethanol;tert-Butyl 2-(hydroxyMethyl)azetidine-1-carboxylate
  • PSA 49.77000
  • LogP 0.92600

N-Boc-2-azetidinemethanol Specification

The 1-Azetidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, with CAS registry number 174346-82-8, has the systematic name of tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate. Besides this, it is also called 2-Hydroxymethyl-azetidine-1-carboxylic acid tert-butyl ester. And the chemical formula of this chemical is C9H17NO3.

Physical properties of 1-Azetidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24; (8)ACD/KOC (pH 7.4): 24; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.77 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 48.445 cm3; (15)Molar Volume: 167.792 cm3; (16)Polarizability: 19.205×10-24cm3; (17)Surface Tension: 40.768 dyne/cm; (18)Density: 1.116 g/cm3; (19)Flash Point: 117.303 °C; (20)Enthalpy of Vaporization: 59.044 kJ/mol; (21)Boiling Point: 270.349 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1CC(CO)C1
(2)InChI: InChI=1/C9H17NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h7,11H,4-6H2,1-3H3
(3)InChIKey: HXRDRJKAEYHOBB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h7,11H,4-6H2,1-3H3
(5)Std. InChIKey: HXRDRJKAEYHOBB-UHFFFAOYSA-N

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