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| CAS No.: | 64609-06-9 |
|---|---|
| Name: | 4-fluoro-α-methylbenzeneethanamine hydrochloride |
| Molecular Structure: | |
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| Formula: | C9H12FN.HCl |
| Molecular Weight: | 189.66 |
| Synonyms: | Benzeneethanamine,4-fluoro-a-methyl-, hydrochloride (9CI);Benzeneethanamine, 4-fluoro-a-methyl-, hydrochloride, (?à)-; |
| Melting Point: | 156-157 °C |
| Flash Point: | 9℃ |
| Hazard Symbols: | F,T |
| Risk Codes: | 11-23/24/25-39/23/24/25 |
| Safety: | 7-16-36/37-45 |
| PSA: | 26.02000 |
| LogP: | 3.21770 |
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Specification
The 4-Fluoro-alpha-methylbenzeneethanamine hydrochloride is an organic compound with the formula C9H12FN.HCl. The IUPAC name of this chemical is 1-(4-fluorophenyl)propan-2-amine hydrochloride. With the CAS registry number 64609-06-9, it is also named as benzeneethanamine, 4-fluoro-α-methyl-, hydrochloride (1:1).
Physical properties about 4-Fluoro-alpha-methylbenzeneethanamine hydrochloride are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 2; (4)Exact Mass: 189.072055; (5)MonoIsotopic Mass: 189.072055; (6)Topological Polar Surface Area: 26; (7)Heavy Atom Count: 12; (8)Complexity: 108; (9)Undefined Atom StereoCenter Count: 1; (10)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(Cc1ccc(cc1)F)N.Cl
(2)InChI: InChI=1/C9H12FN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H
(3)InChIKey: GKWYMWZWSCKSMT-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H12FN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H
(5)Std. InChIKey: GKWYMWZWSCKSMT-UHFFFAOYSA-N