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59325-14-3

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Basic Information
CAS No.: 59325-14-3
Name: ethyl methyl(2-phenylethyl)carbamate
Article Data: 2
Molecular Structure:
Molecular Structure of 59325-14-3 (ethyl methyl(2-phenylethyl)carbamate)
Formula: C12H17NO2
Molecular Weight: 207.272
Synonyms: Carbamicacid, methylphenethyl-, ethyl ester (6CI);
Density: 1.041 g/cm3
Boiling Point: 300.1 °C at 760 mmHg
Flash Point: 135.3 °C
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    Carbamic acid, methyl(2-phenylethyl)-, ethyl ester (9CI)

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Specification

The Carbamic acid, methyl(2-phenylethyl)-, ethyl ester (9CI) has CAS registry number 59325-14-3. This chemical's molecular formula is C12H17NO2 and molecular weight is 207.27. What's more, its systematic name is ethyl methyl(2-phenylethyl)carbamate.

Physical properties of Carbamic acid, methyl(2-phenylethyl)-, ethyl ester (9CI) are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)ACD/BCF (pH 5.5): 133.7; (6)ACD/BCF (pH 7.4): 133.7; (7)ACD/KOC (pH 5.5): 1157.45; (8)ACD/KOC (pH 7.4): 1157.45; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 59.82 cm3; (15)Molar Volume: 199 cm3; (16)Polarizability: 23.71×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.041 g/cm3; (19)Flash Point: 135.3 °C; (20)Enthalpy of Vaporization: 54.01 kJ/mol; (21)Boiling Point: 300.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)N(CCc1ccccc1)C
(2)Std. InChI: InChI=1S/C12H17NO2/c1-3-15-12(14)13(2)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
(3)Std. InChIKey: UEUVZTJBTQRBST-UHFFFAOYSA-N