Molecular Structure of tert-Butyl N-[3-(aminomethyl)benzyl]carbamate (CAS No.108467-99-8):
Molecular Formula: C13H20N2O2
Molecular Weight: 236.3101
CAS No: 108467-99-8
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 6
Polar Surface Area: 32.78 Å2
Index of Refraction: 1.529
Molar Refractivity: 68.12 cm3
Molar Volume: 220.6 cm3
Surface Tension: 40.5 dyne/cm
Density: 1.071 g/cm3
Flash Point: 185.6 °C
Enthalpy of Vaporization: 63.18 kJ/mol
Boiling Point: 383.3 °C at 760 mmHg
Vapour Pressure: 4.45E-06 mmHg at 25°C
InChI: InChI=1/C13H20N2O2 /c1-13(2,3)17-12(16)15-9-11-6-4-5-10(7-11)8-14/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKey: GQAUPTTUSSLXPS-UHFFFAOYAN
Std. InChI: InChI=1S/C13H20N2O2 /c1-13(2,3)17-12(16)15-9-11-6-4-5-10(7-11)8-14/h4-7H,8-9,14H2,1-3H3,(H,15,16)
Std. InChIKey: GQAUPTTUSSLXPS-UHFFFAOYSA-N
Synonyms of tert-Butyl N-[3-(aminomethyl)benzyl]carbamate (CAS No.108467-99-8): tert-Butyl N-[3-(aminomethyl)benzyl]carbamate ; (3-aminomethyl-benzyl)-Carbamic acid tert-butyl ester ; 1-(N-boc-aminomethyl)-3-(aminomethyl)benzene ; 1-(N-boc-aminomethyl)-3-(aminomethyl) be ; tert-Butyl 3-(aminomethyl)benzylcarbamate
Product Categories: Aromatics Compounds;Aromatics;Aminomethyl's;Phenyls Phenyl-Het;Nitrogen Compounds;Organic Building Blocks;Protected Amines
WGK Germany: 3
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