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CAS No.: | 42365-68-4 |
---|---|
Name: | 3-HYDROXY-4-METHOXYBENZYLAMINE HYDROCHLORIDE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H12ClNO2 |
Molecular Weight: | 189.642 |
Synonyms: | Phenol,5-(aminomethyl)-2-methoxy-, hydrochloride (9CI); |
Density: | 1.161g/cm3 |
Melting Point: | 190-195 °C(lit.) |
Boiling Point: | 295.3 °C at 760 mmHg |
Flash Point: | 132.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36-43 |
Safety: | 26-37/39 |
PSA: | 55.48000 |
LogP: | 2.36180 |
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The Phenol,5-(aminomethyl)-2-methoxy-, hydrochloride (1:1), with the CAS registry number 42365-68-4, is also known as 3-Hydroxy-4-methoxybenzylamine hydrochloride 97%. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Amino Alcohols; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C8H12ClNO2 and molecular weight is 189.64. Its systematic name is called (3-hydroxy-4-methoxyphenyl)methanaminium chloride.
Physical properties of Phenol,5-(aminomethyl)-2-methoxy-, hydrochloride (1:1): (1)ACD/LogP: 0.06; (2)ACD/LogD (pH 5.5): -2.98; (3)ACD/LogD (pH 7.4): -1.92; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3 ; (9) #H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 132.4 °C; (12)Enthalpy of Vaporization: 55.65 kJ/mol; (13)Boiling Point: 295.3 °C at 760 mmHg; (14)Vapour Pressure: 0.000871 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes. It may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].Oc1cc(ccc1OC)C[NH3+]
(2)InChI: InChI=1/C8H11NO2.ClH/c1-11-8-3-2-6(5-9)4-7(8)10;/h2-4,10H,5,9H2,1H3;1H
(3)InChIKey: IEVBKUSXLSVMOB-UHFFFAOYAJ