3-Methoxybenzylamine

The Benzenemethanamine,3-methoxy-, with the CAS registry number 5071-96-5, is also known as m-Methoxybenzylamine. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Amine; Amines; C8; Nitrogen Compounds. Its EINECS number is 225-779-6. This chemical's molecular formula is C₈H₁₁NO and molecular weight is 137.18. What's more, its systematic name is 1-(3-methoxyphenyl)methanamine. This chemical is mainly used as pharmaceutical intermediates, organic synthesis reagents and organic solvents. It can also be used in dye production, pesticide production and spices and so on. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.

Physical properties of Benzenemethanamine,3-methoxy- are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -0.91; (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): 1.02; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 41.38 cm³; (15)Molar Volume: 133.4 cm³; (16)Polarizability: 16.4×10^-24cm³; (17)Surface Tension: 37.3 dyne/cm; (18)Density: 1.028 g/cm³; (19)Flash Point: 98.4 °C; (20)Enthalpy of Vaporization: 47.51 kJ/mol; (21)Boiling Point: 238.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0428 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methoxy-benzonitrile at the temperature of 20 °C. This reaction will need reagent hydrazinium monoformate and solvent methanol with the reaction time of 6 min. This reaction will also need catalyst Raney nickel. The yield is about 72%.

Uses of Benzenemethanamine,3-methoxy-: it can be used to produce N-(3-Methoxybenzyl)sulfamide by heating. It will need reagent NH₂SO₂NH₂ and solvent H₂O with the reaction time of 5 hours. The yield is about 66%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. 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. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1)CN)C
(2)Std. InChI: InChI=1S/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3
(3)InChIKey: GRRIMVWABNHKBX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08724.