Specification: |
The (3-Amino-1-methylpropyl)carbamic acid benzyl ester, its cas register number is 885277-95-2. It also can be called as Carbamic acid,(3-amino-1-methylpropyl)-, phenylmethyl ester (9CI) and the Systematic name about this chemical is benzyl N-(3-amino-1-methyl-propyl)carbamate.
Physical properties about (3-Amino-1-methylpropyl)carbamic acid benzyl ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 64.35Å2; (5)Index of Refraction: 1.529; (6)Molar Refractivity: 63.19 cm3; (7)Molar Volume: 204.6 cm3; (8)Polarizability: 25.05x10-24cm3; (9)Surface Tension: 42.3 dyne/cm; (10)Enthalpy of Vaporization: 62.11 kJ/mol; (11)Vapour Pressure: 8.76E-06 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: CC(CCN)NC(=O)OCc1ccccc1
(2)InChI: InChI=1/C12H18N2O2/c1-10(7-8-13)14-12(15)16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15)
(3)InChIKey: WOKDIYCOYIKOQP-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H18N2O2/c1-10(7-8-13)14-12(15)16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15)
(5)Std. InChIKey: WOKDIYCOYIKOQP-UHFFFAOYSA-N
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