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Basic Information
CAS No.: 10128-06-0
Name: (2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid
Molecular Structure:
Molecular Structure of 10128-06-0 ((2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid)
Formula: C12H17NO4
Molecular Weight: 239.271
Synonyms: Alanine,3-(3,4-dimethoxyphenyl)-2-methyl- (6CI,7CI,8CI);DL-a-Methyl-3,4-dimethoxyphenylalanine;a-Methyl-3,4-dimethoxyphenylalanine;
EINECS: 679-927-3
Density: 1.186 g/cm3
Melting Point: 274-275 °C (decomp)
Boiling Point: 379.6 °C at 760 mmHg
Flash Point: 183.4 °C
PSA: 81.78000
LogP: 1.74860
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  • (2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid

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    (2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid

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    10128-06-0

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  • (2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid 10128-06-0

  • Casno:

    10128-06-0

    (2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid 10128-06-0

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

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Specification

The cas register number of (2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid is 10128-06-0. It also can be called as L-tyrosine, 3-methoxy-O,alpha-dimethyl- and the Systematic name about this chemical is 3-methoxy-O,alpha-dimethyl-L-tyrosine.

Physical properties about (2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid are: (1)ACD/LogP: 1.20 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 48 Å2; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 63.49 cm3; (13)Molar Volume: 201.6 cm3; (14)Surface Tension: 45.1 dyne/cm; (15)Density: 1.186 g/cm3; (16)Flash Point: 183.4 °C; (17)Enthalpy of Vaporization: 66.21 kJ/mol; (18)Boiling Point: 379.6 °C at 760 mmHg; (19)Vapour Pressure: 1.93E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(O)[C@](N)(C)Cc1cc(OC)c(OC)cc1
2.InChI: InChI=1/C12H17NO4/c1-12(13,11(14)15)7-8-4-5-9(16-2)10(6-8)17-3/h4-6H,7,13H2,1-3H3,(H,14,15)/t12-/m0/s1 
3.InChIKey: QCCQWLWXLUTSAK-LBPRGKRZBU
4.Std. InChI: InChI=1S/C12H17NO4/c1-12(13,11(14)15)7-8-4-5-9(16-2)10(6-8)17-3/h4-6H,7,13H2,1-3H3,(H,14,15)/t12-/m0/s1