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47121-49-3

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Basic Information
CAS No.: 47121-49-3
Name: DDZ-HYDRYZIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 47121-49-3 (DDZ-HYDRYZIDE)
Formula: C12H17NO4
Molecular Weight: 297.30796
Synonyms: N-[[1-(3,5-Dimethoxylphenyl)-1-methylethoxy]carbonyl]-glycine;(α,α-Dimethyl-3,5-dimethoxybenzyl) -Hydryzide;
Density: 1.218 g/cm3
Boiling Point: 490 °C at 760 mmHg
Flash Point: 250.1 °C
PSA: 94.09000
LogP: 2.14060
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Specification

The Dimethoxylphenylmethylethoxycarbonylglycine is an organic compound with the formula C14H19NO6. The systematic name of this chemical is N-{[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl}glycine. With the CAS registry number 47121-49-3, it is also named as glycine, N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-. In addition, the molecular weight is 297.30796.

The other characteristics of Dimethoxylphenylmethylethoxycarbonylglycine can be summarized as: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -1.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.17; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 74.3 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 74.19 cm3; (15)Molar Volume: 244 cm3; (16)Polarizability: 29.41×10-24 cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 250.1 °C; (20)Enthalpy of Vaporization: 79.66 kJ/mol; (21)Boiling Point: 490 °C at 760 mmHg; (22)Vapour Pressure: 2.05E-10 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)CNC(=O)OC(c1cc(OC)cc(OC)c1)(C)C
2. InChI:InChI=1/C14H19NO6/c1-14(2,21-13(18)15-8-12(16)17)9-5-10(19-3)7-11(6-9)20-4/h5-7H,8H2,1-4H3,(H,15,18)(H,16,17) 
3. InChIKey:YZJJRGWAZYJAPX-UHFFFAOYAN
4. Std. InChI:InChI=1S/C14H19NO6/c1-14(2,21-13(18)15-8-12(16)17)9-5-10(19-3)7-11(6-9)20-4/h5-7H,8H2,1-4H3,(H,15,18)(H,16,17) 
5. Std. InChIKey:YZJJRGWAZYJAPX-UHFFFAOYSA-N