The Benzamide, 2-amino-N-(2-aminoethyl)-, with the CAS registry number 98960-81-7, is also known as Benzamide, o-amino-N-(2-aminoethyl)-. This chemical's molecular formula is C9H13N3O and molecular weight is 179.22. What's more, its systematic name is 2-phenoxyethyl 4-hydroxybenzoate.
Physical properties of Benzamide, 2-amino-N-(2-aminoethyl)- are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 4; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 81.14 Å2; (6)Index of Refraction: 1.602; (7)Molar Refractivity: 52.28 cm3; (8)Molar Volume: 152.2 cm3; (9)Polarizability: 20.72×10-24cm3; (10)Surface Tension: 55.2 dyne/cm; (11)Density: 1.177 g/cm3; (12)Flash Point: 203.1 °C; (13)Enthalpy of Vaporization: 66.49 kJ/mol; (14)Boiling Point: 412.3 °C at 760 mmHg; (15)Vapour Pressure: 5.24E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)C(=O)NCCN)N
(2)Std. InChI: InChI=1S/C9H13N3O/c10-5-6-12-9(13)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2,(H,12,13)
(3)Std. InChIKey: CPVBIJDFUDYJIO-UHFFFAOYSA-N
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