6-Oxa-3-aza-bicyclo[3,1,1]heptane supplier

Name
6-Oxa-3-azabicyclo[3.1.1]heptane
EINECS
CAS No. 112461-31-1
Density 1.074 g/cm³
Solubility
Melting Point
Formula C₅H₉NO
Boiling Point 153.6 °C at 760 mmHg
Molecular Weight 99.1326
Flash Point 46.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Oxa-3-azabicyclo[3.1.1]heptane
PSA 21.26000
LogP 0.07590

6-Oxa-3-aza-bicyclo[3,1,1]heptane Specification

The 6-Oxa-3-aza-bicyclo[3,1,1]heptane has the CAS registry number 112461-31-1. This chemical's molecular formula is C₅H₉NO and molecular weight is 99.13. What's more, its systematic name is 6-Oxa-3-azabicyclo[3.1.1]heptane.

Physical properties of 6-Oxa-3-aza-bicyclo[3,1,1]heptane are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 21.26 Å²; (10)Index of Refraction: 1.476; (11)Molar Refractivity: 26.06 cm³; (12)Molar Volume: 92.2 cm³; (13)Polarizability: 10.33×10^-24cm³; (14)Surface Tension: 36.1 dyne/cm; (15)Density: 1.074 g/cm³; (16)Flash Point: 46.1 °C; (17)Enthalpy of Vaporization: 39.04 kJ/mol; (18)Boiling Point: 153.6 °C at 760 mmHg; (19)Vapour Pressure: 3.3 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1C2CNCC1O2
(2)InChI: InChI=1S/C5H9NO/c1-4-2-6-3-5(1)7-4/h4-6H,1-3H2
(3)InChIKey: WDJAQSJMDRFZIX-UHFFFAOYSA-N

Product Name

6-Oxa-3-azabicyclo[3.1.1]heptane

6-Oxa-3-aza-bicyclo[3,1,1]heptane Specification

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