91679-34-4 (2-amino-3-(4-hydroxyphenyl)propanoic acid,DL-Tyrosine-1-13C)

快速询单

结构式：

2-amino-3-(4-hydroxyphenyl)propanoic acidMOL文件

CAS号：

91679-34-4

中文名称：

2-amino-3-(4-hydroxyphenyl)propanoic acid

英文名称：

DL-Tyrosine-1-13C

分子式：

C₉H₁₁NO₃

分子量：

182.181197404861

2-amino-3-(4-hydroxyphenyl)propanoic acid(91679-34-4)名称与标识符

名称

中文别名：

DL-4-羟基苯基(丙氨酸-1-13C);

英文别名：

2-amino-3-(4-hydroxyphenyl)propanoic acid;DL-Tyrosine-1-13C;

标识符

InChIKey：

OUYCCCASQSFEME-QBZHADDCSA-N

Inchi：

1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/i9+1

SMILES：

O[13C](C(CC1C=CC(=CC=1)O)N)=O

2-amino-3-(4-hydroxyphenyl)propanoic acid(91679-34-4)物化性质

实验特性

熔点 : >300 °C (dec.)(lit.)

计算特性

精确分子量 : 182.07724805g/mol
氢键供体数量 : 3
氢键受体数量 : 4
可旋转化学键数量 : 3
同位素质量 : 182.07724805g/mol
重原子数量 : 13
复杂度 : 176
同位素原子数量 : 1
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） : -2.3
拓扑分子极性表面积 : 83.6

2-amino-3-(4-hydroxyphenyl)propanoic acid(91679-34-4)安全信息

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