4-Benzyloxyaniline hydrochloride

The 4-Benzyloxyaniline hydrochloride, with the CAS registry number 51388-20-6, is also known as 4-(Phenylmethoxy)aniline hydrochloride. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Amine Salts; Building Blocks; Chemical Synthesis; Nitrogen Compounds; Organic Building Blocks. Its EINECS number is 257-170-6. This chemical's molecular formula is C₁₃H₁₃NO^.HCl and molecular weight is 235.71. What's more, its systematic name is 4-(Benzyloxy)aniline hydrochloride (1:1). This chemical should be sealed and stored in a cool and dry place. It is mainly used as organic synthesis and pharmaceutical intermediate.

Physical properties of 4-Benzyloxyaniline hydrochloride are: (1)ACD/LogP: 2.4; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.40; (5)ACD/BCF (pH 5.5): 26.87; (6)ACD/BCF (pH 7.4): 39.02; (7)ACD/KOC (pH 5.5): 329.53; (8)ACD/KOC (pH 7.4): 478.54; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Flash Point: 180.4 °C; (14)Enthalpy of Vaporization: 60.31 kJ/mol; (15)Boiling Point: 357.7 °C at 760 mmHg; (16)Vapour Pressure: 2.68E-05 mmHg at 25°C.

Uses of 4-Benzyloxyaniline hydrochloride: it can be used to produce benzoic acid-(4-benzyloxy-anilide). It will need reagent pyridine with the reaction time of 15 min. The yield is about 90%.

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 not breathe dust. 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.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c1ccc(cc1)N)Cc2ccccc2
(2)Std. InChI: InChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H
(3)Std. InChIKey: KQBDLOVXZHOAJI-UHFFFAOYSA-N