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| CAS No.: | 64068-31-1 |
|---|---|
| Name: | 3-FLUORO-PROPYLAMINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C3H9ClFN |
| Molecular Weight: | 113.563 |
| Synonyms: | 3-Fluoropropylamine hydrochloride;3-Fluoropropan-1-amine hydrochloride (1:1); |
| Boiling Point: | 122.9 °C at 760 mmHg |
| Flash Point: | 28.1 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.02000 |
| LogP: | 1.80700 |
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Specification
The 1-Propanamine,3-fluoro-, hydrochloride (9CI), with the CAS registry number 64068-31-1, is also known as 3-Fluoropropylamine hydrochloride. The molecular formula of this chemical is C3H9ClFN and molecular weight is 113.56. What's more, its systematic name is 3-Fluoropropan-1-amine hydrochloride (1:1).
Physical properties of 1-Propanamine,3-fluoro-, hydrochloride (9CI) 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: 1; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 26.02 Å2; (10)Flash Point: 28.1 °C; (11)Enthalpy of Vaporization: 36.84 kJ/mol; (12)Boiling Point: 122.9 °C at 760 mmHg; (13)Vapour Pressure: 12.4 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CN)CF.Cl;
(2)InChI: InChI=1S/C3H8FN.ClH/c4-2-1-3-5;/h1-3,5H2;1H;
(3)InChIKey: CPRAKQAFBUANAU-UHFFFAOYSA-N