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| CAS No.: | 1005498-91-8 |
|---|---|
| Name: | 4-Aminotetrahydro-2H-pyran acetate |
| Molecular Structure: | |
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| Formula: | C5H11NO.C2H4O2 |
| Molecular Weight: | 161.201 |
| Synonyms: | Tetrahydro-2H-pyran-4-amine acetate; |
| EINECS: | 258-963-9 |
| Boiling Point: | 309.2 °C at 760 mmHg |
| Flash Point: | 140.8 °C |
| PSA: | 72.55000 |
| LogP: | 0.91530 |
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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