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| CAS No.: | 204512-94-7 |
|---|---|
| Name: | TETRAHYDRO-FURAN-3-YLAMINE HCL |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C4H9NO.HCl |
| Molecular Weight: | 123.582 |
| Synonyms: | 3-Furanamine,tetrahydro-, hydrochloride (9CI);3-Aminotetrahydrofuran hydrochloride;Tetrahydrofuran-3-amine hydrochloride; |
| Boiling Point: | 173.5 °C at 760 mmHg |
| Flash Point: | 58.7 °C |
| PSA: | 35.25000 |
| LogP: | 1.23630 |
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Specification
The Tetrahydrofuran-3-ylamine hydrochloride, with the CAS registry number 204512-94-7, is also called Tetrahydro-furan-3-ylamine HCl. It belongs to the product category of Heterocycles series. And the molecular formula of the chemical is C4H9NO.HCl.
The characteristics of this chemical are as followings: (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: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 35.25 Å2; (10) Flash Point: 58.7 °C; (11)Enthalpy of Vaporization: 41.83 kJ/mol; (12)Boiling Point: 173.5 °C at 760 mmHg; (13)Vapour Pressure: 1.09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.NC1CCOC1
(2)InChI: InChI=1/C4H9NO.ClH/c5-4-1-2-6-3-4;/h4H,1-3,5H2;1H
(3)InChIKey: MHOVLDXJDIEEMJ-UHFFFAOYAZ