4464-16-8 ((Miotine)

结构式:
CAS号:
4464-16-8
英文名称:
Miotine
分子式:
C12H18N2O2
分子量:
222.283523082733

Miotine(4464-16-8)名称与标识符

名称

英文别名:
[3-[1-(dimethylamino)ethyl]phenyl] N-methylcarbamate;Methylcarbamic acid [3-[1-(dimethylamino)ethyl]phenyl] ester;9Z3ZT09RRU;FB98320000;NIOSH/FB9832000;AC1Q60SR;Deethyl rivastigmine, (+/-)-;CHEMBL1181675;Carbamic acid, methyl-, m-(1-(dimethylamino)ethyl)phenyl ester, l-;Q6871576;d-Miotine;d-Miotin;Carbamic acid, methyl-, m-(1-(dimethylamino)ethyl)phenyl ester, d-;CHEBI:6943;[3-(1-dimethylaminoethyl)phenyl] N-methylcarbamate;LS-50124;3-[1-(dimethylamino)ethyl]phenyl methylcarbamate;FB98330000;Methylcarbamic acid[3-[1-(dimethylamino)ethyl]phenyl]ester;l-Miotine;Miotin;3-(1-(Dimethylamino)ethyl)phenyl methylcarbamate;BDBM10950;SCHEMBL12043569;Miotine;Phenol, 3-(1-(dimethylamino)ethyl)-, 1-(N-methylcarbamate);Phenol, 3-(1-(dimethylamino)ethyl)-, methylcarbamate (ester), d-;NIOSH/FB9833000;DTXSID10275489;Phenol, 3-(1-(dimethylamino)ethyl)-, methylcarbamate (ester), l-;3-[1-(dimethylamino)ethyl]phenyl N-methylcarbamate;UNII-9Z3ZT09RRU;Phenol, 3-(1-(dimethylamino)ethyl)-, methylcarbamate (ester);l-Miotin;Carbamic acid, methyl-, m-(1-(dimethylamino)ethyl)phenyl ester;AC1L2FBX;SureCN12043569;C11763;4464-16-8;

标识符

InChIKey:
KQOUPMYYRQWZLI-UHFFFAOYSA-N
Inchi:
1S/C12H18N2O2/c1-9(14(3)4)10-6-5-7-11(8-10)16-12(15)13-2/h5-9H,1-4H3,(H,13,15)
SMILES:
O(C(NC)=O)C1=CC=CC(=C1)C(C)N(C)C

Miotine(4464-16-8)物化性质

计算特性

  • 精确分子量 : 222.137
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 同位素质量 : 222.137
  • 重原子数量 : 16
  • 复杂度 : 231
  • 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) : 1.6
  • 拓扑分子极性表面积 : 41.6A^2

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