76213-25-7 ((Propanamide,2-amino-N-(2,6-dimethylphenyl)-)

CAS号:
76213-25-7
英文名称:
Propanamide,2-amino-N-(2,6-dimethylphenyl)-
分子式:
C11H16N2O
分子量:
192.257542610168

Propanamide,2-amino-N-(2,6-dimethylphenyl)-(76213-25-7)名称与标识符

名称

英文别名:
Propanamide,2-amino-N-(2,6-dimethylphenyl)-;rac-(R*)-2-Amino-N-(2,6-dimethylphenyl)propanamide;(?à)-Tocainide;(RS)-Tocainide;2-Amino-2',6'-propionoxylidide;Astra W 36095;DL-Tocainide;Racemic tocainide;Tocainide;W 36095;UNII-27DXO59SAN;TOCAINIDE [WHO-DD];Prestwick3_001027;AB00514717_08;2-Amino-N-(2,6-dimethylphenyl)propionamid;Propanamide, 2-amino-N-(2,6-dimethylphenyl)-;CCG-100842;41708-72-9 (free base);N-(2,6-dimethylphenyl)alaninamide;TOCAINIDE [INN];HMS2051G06;AS-47668;BUJAGSGYPOAWEI-UHFFFAOYSA-N;TOCAINIDE [MART.];NC00092;EN300-6499518;SDCCGSBI-0633699.P001;C07142;Tocainida;HY-B1798;NCGC00162129-03;2-Amino-N-(2,6-dimethylphenyl)propanamide #;AKOS009044713;SCHEMBL15761;D06172;NS00009050;MLS000759525;TOCAINIDE [MI];Prestwick0_001027;MFCD00072010;CHEBI:9611;CS-0013837;CHEMBL1762;SMR000466388;AB00514717;Prestwick2_001027;NCGC00162129-01;W-36095;Prestwick1_001027;MFCD00941502;F15117;HMS2232D16;EINECS 255-505-0;Tocainide [USAN:INN:BAN];Tocainide (USAN/INN);2-AMINO-N-(2,6-DIMETHYLPHENYL)PROPANAMIDE;MLS001423966;NCGC00162129-04;DB01056;Tonocard;TOCAINIDE [VANDF];Alanyl-2,6-xylidide;HMS3393G06;TOCAINIDE [USAN];BRD-A92670106-003-03-9;DTXSID9040766;GTPL7309;Tocainida [INN-Spanish];27DXO59SAN;41708-72-9;53984-26-2;NCGC00162129-02;2-amino-N-(2,6-dimethylphenyl)propanimidic acid;Q757058;BSPBio_001213;Tocainidum [INN-Latin];76213-25-7;NCGC00162129-09;Propanamide, 2-amino-N-(2,6-dimethylphenyl)-, (-)-;AB00514717-06;BPBio1_001335;Tocainidum;AC-16017;2',6'-Propionoxylidide, 2-amino-;FT-0754302;BRN 2416564;(-)-2-Amino-N-(2,6-dimethylphenyl)propanamide;SPBio_003074;

标识符

InChIKey:
BUJAGSGYPOAWEI-UHFFFAOYSA-N
Inchi:
1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)
SMILES:
O=C(C(C)N)NC1C(C)=CC=CC=1C

Propanamide,2-amino-N-(2,6-dimethylphenyl)-(76213-25-7)物化性质

实验特性

  • LogP : 1.1

计算特性

  • 精确分子量 : 192.126263138g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 192.126263138g/mol
  • 重原子数量 : 14
  • 复杂度 : 196
  • 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) : 0.8
  • 拓扑分子极性表面积 : 55.1Ų

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