The Benzyl (1-(aminocarbonyl)-2-hydroxypropyl)carbamate, with the CAS registry number 91558-42-8, is also known as N-(1-Carbamoyl-2-hydroxypropyl)carbamic acid benzyl ester. It belongs to the product categories of Amino Acids & Derivatives; Aromatics. Its EINECS number is 293-840-4. This chemical's molecular formula is C12H16N2O4 and molecular weight is 252.27. What's more, its systematic name is Benzyl (1-amino-3-hydroxy-1-oxo-2-butanyl)carbamate.
Physical properties of Benzyl (1-(aminocarbonyl)-2-hydroxypropyl)carbamate are: (1)ACD/LogP: 0.688; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.96; (6)ACD/BCF (pH 7.4): 1.96; (7)ACD/KOC (pH 5.5): 56.37; (8)ACD/KOC (pH 7.4): 56.31; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 101.65 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 64.72 cm3; (15)Molar Volume: 199.632 cm3; (16)Polarizability: 25.657×10-24cm3; (17)Surface Tension: 54.05 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 261.252 °C; (20)Enthalpy of Vaporization: 81.99 kJ/mol; (21)Boiling Point: 508.368 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(NC(=O)OCc1ccccc1)C(O)C
(2)Std. InChI: InChI=1S/C12H16N2O4/c1-8(15)10(11(13)16)14-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,15H,7H2,1H3,(H2,13,16)(H,14,17)
(3)Std. InChIKey: PYZXYZOBPGPOFQ-UHFFFAOYSA-N
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