Name: (AZETIDIN-3-YL)METHANOL
SKU: 95849-02-8

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Basic Information

Molecular Structure:
CAS No.:	95849-02-8
Name:	(AZETIDIN-3-YL)METHANOL
Article Data:	7

Formula:	C₄H₉NO
Molecular Weight:	87.1216
Synonyms:	3-Hydroxymethylazetidine;
Density:	1.018 g/cm³
Boiling Point:	153.823 °C at 760 mmHg
Flash Point:	86.183 °C
PSA:	32.26000
LogP:	-0.47310

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Specification

The 3-Azetidinemethanol, with the CAS registry number of 95849-02-8, is also known as 3-(Hydroxymethyl)azetidine. This chemical's molecular formula is C₄H₉NO and molecular weight is 87.12036. What's more, its systematic name is Azetidin-3-ylmethanol.

Physical properties about the 3-Azetidinemethanol are: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 32.26 Å²; (11)Index of Refraction: 1.459; (12)Molar Refractivity: 23.412 cm³; (13)Molar Volume: 85.582 cm³; (14)Surface Tension: 39.104 dyne/cm; (15)Density: 1.018 g/cm³; (16)Flash Point: 86.183 °C; (17)Enthalpy of Vaporization: 45.496 kJ/mol; (18)Boiling Point: 153.823 °C at 760 mmHg; (19)Vapour Pressure: 1.207 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC1CNC1
(2) InChI: InChI=1/C4H9NO/c6-3-4-1-5-2-4/h4-6H,1-3H2
(3) InChIKey: GNVWVYIAQBJHGV-UHFFFAOYAE