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4-Aminotetrahydro-2H-pyran acetate

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Name

4-Aminotetrahydro-2H-pyran acetate

EINECS 258-963-9
CAS No. 1005498-91-8 Density N/A
PSA 72.55000 LogP 0.91530
Solubility N/A Melting Point N/A
Formula C5H11NO.C2H4O2 Boiling Point 309.2 °C at 760 mmHg
Molecular Weight 161.201 Flash Point 140.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1005498-91-8 (4-Aminotetrahydro-2H-pyran acetate) Hazard Symbols N/A
Synonyms

Tetrahydro-2H-pyran-4-amine acetate;

 

4-Aminotetrahydro-2H-pyran acetate Specification

This chemical is called 4-Aminotetrahydro-2H-pyran acetate, and its systematic name is acetic acid; tetrahydropyran-4-amine. With the molecular formula of C5H11NO.C2H4O2, its molecular weight is 161.20. The CAS registry number of this chemical is 1005498-91-8.
 
Other characteristics of the 4-Aminotetrahydro-2H-pyran acetate can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)4 #H bond donors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 72.55 Å2; (5)Flash Point: 140.8 °C; (6)Enthalpy of Vaporization: 60.48 kJ/mol; (7)Boiling Point: 309.2 °C at 760 mmHg; (8)Vapour Pressure: 0.000145 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: CC(=O)O.C1COCCC1N
(2)InChI: InChI=1/C5H11NO.C2H4O2/c6-5-1-3-7-4-2-5;1-2(3)4/h5H,1-4,6H2;1H3,(H,3,4)
(3)InChIKey: PFDSOUIEDDDQES-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H11NO.C2H4O2/c6-5-1-3-7-4-2-5;1-2(3)4/h5H,1-4,6H2;1H3,(H,3,4)
(5)Std. InChIKey: PFDSOUIEDDDQES-UHFFFAOYSA-N

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