Benzenemethanamine,3-chloro-4-methyl- (67952-93-6)

The 3-Chloro-4-methylbenzylamine, with CAS registry number 67952-93-6, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Aminomethyl's; (3)Phenyls & Phenyl-Het. It has the systematic name of 1-(3-chloro-4-methylphenyl)methanamine. What's more, its EINECS is 267-929-3.

Physical properties of 3-Chloro-4-methylbenzylamine: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.976; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.399; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 16.328; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02 Å²; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 44.424 cm³; (14)Molar Volume: 137.647 cm³; (15)Polarizability: 17.611×10^-24cm³; (16)Surface Tension: 40.217 dyne/cm; (17)Enthalpy of Vaporization: 47.347 kJ/mol; (18)Vapour Pressure: 0.047 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-Chloro-4-methylbenzylamine may causes burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1Cl)CN
(2)InChI: InChI=1/C8H10ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3
(3)InChIKey: MXIGALIASISPNU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H10ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3
(5)Std. InChIKey: MXIGALIASISPNU-UHFFFAOYSA-N