Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid |
EINECS | 679-927-3 |
CAS No. | 10128-06-0 | Density | 1.186 g/cm3 |
PSA | 81.78000 | LogP | 1.74860 |
Solubility | N/A | Melting Point |
274-275 °C (decomp) |
Formula | C12H17NO4 | Boiling Point | 379.6 °C at 760 mmHg |
Molecular Weight | 239.271 | Flash Point | 183.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Alanine,3-(3,4-dimethoxyphenyl)-2-methyl- (6CI,7CI,8CI);DL-a-Methyl-3,4-dimethoxyphenylalanine;a-Methyl-3,4-dimethoxyphenylalanine; |
Article Data | 2 |
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