-
Name
(AZETIDIN-3-YL)METHANOL
- EINECS
- CAS No. 95849-02-8
- Article Data7
- CAS DataBase
- Density 1.018 g/cm3
- Solubility
- Melting Point
- Formula C4H9NO
- Boiling Point 153.823 °C at 760 mmHg
- Molecular Weight 87.1216
- Flash Point 86.183 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Hydroxymethylazetidine;
- PSA 32.26000
- LogP -0.47310
3-Azetidinemethanol 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
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