4502-13-0 ((Tyrosine, a-methyl-, methyl ester)

CAS号:
4502-13-0
英文名称:
Tyrosine, a-methyl-, methyl ester
分子式:
C11H15NO3
分子量:
209.241703271866

Tyrosine, a-methyl-, methyl ester(4502-13-0)名称与标识符

名称

英文别名:
Tyrosine, a-methyl-, methyl ester;alpha-methyltyrosine methyl ester;(?à)-a-Methyl-p-tyrosine methyl ester;a-Methyl-DL-p-tyrosine methylester;a-Methyl-DL-tyrosine methyl ester;a-Methyl-p-tyrosine methyl ester;a-Methyltyrosine methyl ester;DL-a-Methyl-p-tyrosine methyl ester;DL-a-Methyltyrosine methyl ester;Methyl DL-a-methyltyrosinate;alpha-Methyl-para-tyrosine methyl ester;CCG-204870;Tyrosine, alpha-methyl-, methyl ester;PD034335;alpha-Methyl-p-tyrosine methyl ester;NCGC00015667-03;UNII-N73778YX9N;NCGC00015667-04;SCHEMBL503526;IDI1_016761;racemetirosine methyl ester;.ALPHA.-METHYL-DL-P-TYROSINE METHYL ESTER;METHYL DL-.ALPHA.-METHYLTYROSINATE;Q27284649;Lopac0_000785;Methyl alpha-methyltyrosinate;N73778YX9N;CHEMBL1181010;NCGC00015667-02;Tyrosine, .alpha.-methyl-, methyl ester;DL-Tyrosine, alpha-methyl-, methyl ester;METHYL ALPHA-METHYLTYROSINE;alpha-Methylparatyrosine methylester;4502-13-0;alpha-Methyl-DL-tyrosine methyl ester;(+/-)-.ALPHA.-METHYL-P-TYROSINE METHYL ESTER;Maybridge3_005374;NCGC00162254-01;SDCCGSBI-0050763.P002;DTXSID20963325;alpha-Methyltyrosine, methyl ester;

标识符

InChIKey:
WYJJUDJUEGRXHZ-UHFFFAOYSA-N
Inchi:
1S/C11H15NO3/c1-11(12,10(14)15-2)7-8-3-5-9(13)6-4-8/h3-6,13H,7,12H2,1-2H3
SMILES:
O(C)C(C(C)(CC1C=CC(=CC=1)O)N)=O

Tyrosine, a-methyl-, methyl ester(4502-13-0)物化性质

实验特性

  • 沸点 : 336.4°Cat760mmHg
  • 闪点 : 157.2°C
  • 密度 : 1.179

计算特性

  • 精确分子量 : 209.105193
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 同位素质量 : 209.105193
  • 重原子数量 : 15
  • 复杂度 : 224
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1
  • 拓扑分子极性表面积 : 72.6