Carbamic acid,N-[[4-(aminomethyl)phenyl]methyl]-, 1,1-dimethylethyl ester (108468-00-4)

The 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene with the CAS number 108468-00-4 is also called Carbamic acid,N-[[4-(aminomethyl)phenyl]methyl]-, 1,1-dimethylethyl ester. The systematic name is tert-butyl [4-(aminomethyl)benzyl]carbamate. Its molecular formula is C₁₃H₂₀N₂O₂. This chemical belongs to the following product categories: (1)Benzene series; (2)Aminomethyl's; (3)Phenyls & Phenyl-Het; (4)Nitrogen Compounds; (5)Organic Building Blocks; (6)Protected Amines.

The properties of the 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.25; (4)ACD/LogD (pH 7.4): -0.1; (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): 2.99; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 68.12 cm³; (15)Molar Volume: 220.6 cm³; (16)Polarizability: 27×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Enthalpy of Vaporization: 63.34 kJ/mol; (19)Vapour Pressure: 4.01×10^-6 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCc1ccc(cc1)CN
(2)InChI: InChI=1/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)
(3)InChIKey: NUANLVJLUYWSER-UHFFFAOYAW