4-(N-BOC-AMINOMETHYL)ANILINE

The Carbamic acid,N-[(4-aminophenyl)methyl]-, 1,1-dimethylethyl ester is an organic compound with the formula C₁₂H₁₈N₂O₂. The systematic name of this chemical is tert-butyl (4-aminobenzyl)carbamate. With the CAS registry number 94838-55-8, it is also named as 4-(N-Boc-aminomethyl)aniline. The product's categories are Nitrogen Compounds; Organic Building Blocks; Protected Amines. It is solid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of Carbamic acid,N-[(4-aminophenyl)methyl]-, 1,1-dimethylethyl ester can be summarized as: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 9.29; (6)ACD/BCF (pH 7.4): 9.85; (7)ACD/KOC (pH 5.5): 168.84; (8)ACD/KOC (pH 7.4): 178.87; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 63.9 cm³; (15)Molar Volume: 202.9 cm³; (16)Polarizability: 25.33×10^-24 cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.095 g/cm³; (19)Flash Point: 185 °C; (20)Enthalpy of Vaporization: 63.07 kJ/mol; (21)Boiling Point: 382.3 °C at 760 mmHg; (22)Vapour Pressure: 4.78E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)NCc1ccc(N)cc1
2. InChI:InChI=1/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-7H,8,13H2,1-3H3,(H,14,15) 
3. InChIKey:UXWQXBSQQHAGMG-UHFFFAOYAB
4. Std. InChI:InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-7H,8,13H2,1-3H3,(H,14,15)
5. Std. InChIKey:UXWQXBSQQHAGMG-UHFFFAOYSA-N