CAS No.10128-06-0,(2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10128-06-0
Name:	(2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid
Article Data:	2

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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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