The Carbamicacid, N-(3S)-3-piperidinyl-, phenylmethyl ester, with the CAS registry number 478646-33-2, is also known as Benzyl (3S)-piperidin-3-ylcarbamate. This chemical's molecular formula is C13H18N2O2 and molecular weight is 234.2942. What's more, it should be stored in condition of cold and dry.
Physical properties about Carbamicacid, N-(3S)-3-piperidinyl-, phenylmethyl ester are: (1)ACD/LogP: 1.98; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -0.41; (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): 1.17; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 66.26 cm3; (15)Molar Volume: 205.6 cm3; (16)Polarizability: 26.26×10-24 cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 193.5 °C; (20)Enthalpy of Vaporization: 64.66 kJ/mol; (21)Boiling Point: 396.3 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)N[C@H]2CCCNC2
(2) InChI: InChI=1/C13H18N2O2/c16-13(15-12-7-4-8-14-9-12)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)/t12-/m0/s1
(3) InChIKey: GEHZGURGZRSODK-LBPRGKRZBM
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