Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-,hydrochloride (1:1), (aR)-

This chemical is called Phenylephrine hydrochloride, and its systematic name is Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, hydrochloride (1:1), (alphaR)-. With the CAS registry number of 61-76-7, its classification codes are Adrenergic [ophthalmic]; Diagnostic aid [radiopaque medium, cholecystographic]; Drug / Therapeutic Agent; Human Data; Mutation data; Reproductive Effect; Tumor data. Additionally, this chemical is soluble in water and ethanol, insoluble in chloroform and ethyl ether.

Other characteristics of the Phenylephrine hydrochloride can be summarised as followings: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.05; (4)ACD/LogD (pH 7.4): -1.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Flash Point: 163.4 °C; (14)Enthalpy of Vaporization: 61.71 kJ/mol; (15)Boiling Point: 341.1 °C at 760 mmHg; (16)Vapour Pressure: 3.18E-05 mmHg at 25°C.

Uses of this chemical: The Phenylephrine hydrochloride is an alpha-adrenergic agonist served as a mydriatic, nasal decongestant, and cardiotonic agent. It's used as drenergic drugs, having contraction effect on blood vessels of local body. It's also used for swelling and inflammation of nasal congestion, Extending anesthesia time.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].O[C@H](c1cc(O)ccc1)C[NH2+]C
2.InChI: InChI=1/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1
3.InChIKey:OCYSGIYOVXAGKQ-FVGYRXGTBL

The toxicity data is as follows: