77-41-8 (甲琥胺,Methsuximide)

结构式:
CAS号:
77-41-8
中文名称:
甲琥胺
英文名称:
Methsuximide
分子式:
C12H13NO2
分子量:
203.237123250961

甲琥胺(77-41-8)名称与标识符

名称

中文别名:
甲琥胺;1,3 -二甲基- 3 -苯基- 5 - 吡咯烷二酮;甲琥胺 USP标准品;甲琥胺 标准品;利培酮;锡郎丁;
英文别名:
Methsuximide;1,3-dimethyl-3-phenyl- 2,5-Pyrrolidinedione;1,3-dimethyl-3-phenylpyrrolidine-2,5-dione;2,5-Pyrrolidinedione,1,3-dimethyl-3-phenyl-;mesuximide;METHSUXIMIDE,LIGHT YELLOW OIL;1,3-Dimethyl-3-phenyl-pyrrolidin-2,5-dion;1,3-dimethyl-3-phenyl-pyrrolidine-2,5-dione;Celontin;mesuximid;Mesuximida;Mesuximidum;Methsuximid;Metsuccimide;Petinutin;Metosuccimmide;Mesuximidum [INN-Latin];DB05246;CAS-77-41-8;Succinimide, N,2-dimethyl-2-phenyl-;AC9293;Z649373426;AJXPJJZHWIXJCJ-UHFFFAOYSA-N;METHSUXIMIDE [USP MONOGRAPH];alpha-Methyl-alpha-phenyl N-methyl succinimide;Methsuximide [USP];(RS)-1,3-Dimethyl-3-phenyl-2,5-pyrrolidindion;METHSUXIMIDE [ORANGE BOOK];Tox21_113613;77-41-8;(+/-)-N,2-DIMETHYL-2-PHENYLSUCCINIMIDE;(+/-)-Mesuximide;CHEMBL697;SR-01000942246;METHSUXIMIDE [MI];1,3-Dimethyl-3-phenyl-pyrrolidin-2,5-dione;BRN 0168315;FT-0671397;EN300-9537236;Mesuximida (INN-Spanish);1,3-Dimethyl-3-phenylsuccinimide;NSC 760075;1,3-Dimethyl-3-phenyl-2,5-dioxopyrrolidine;GTPL7228;NSC760075;NS00008219;DTXSID5023293;MESUXIMIDE [WHO-DD];D00404;MESUXIMIDE [MART.];SCHEMBL34852;1ST165599;Q906414;.alpha.-Methylphensuximide;AC-15963;PM 396;EINECS 201-026-7;METHSUXIMIDE [USP-RS];METHSUXIMIDE [HSDB];Metosuccimmide [DCIT];2,5-Pyrrolidinedione, 1,3-dimethyl-3-phenyl-;SY251111;MFCD00072132;2,5-Pyrrolidinedione,1,3-dimethyl-3-phenyl-, (+-)-;Celontin (TN);Pharmakon1600-01505443;MESUXIMIDE (MART.);0G76K8X6C0;Mesuximida [INN-Spanish];NSC-760075;2,5-PYRROLIDINEDIONE,1,3-DIMETHYL-3-PHENYL-, (+/-)-;CHEBI:6846;AB01563316_01;Methsuximide (USP);.alpha.-Methyl-.alpha.-phenyl N-methyl succinimide;(+-)-N,2-Dimethyl-2-phenylsuccinimide;Mesuximidum (INN-Latin);METHSUXIMIDE [VANDF];1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione #;FT-0671398;HSDB 3124;HY-B1376;N-Methyl-.alpha.,.alpha.-methylphenylsuccinimide;AKOS015962173;N-Methyl-.alpha.-methyl-.alpha.-phenylsuccinimide;METHSUXIMIDE (USP MONOGRAPH);N,2-Dimethyl-2-phenylsuccinimide;NCGC00189077-01;CS-0013113;Mesuximide (INN);UNII-0G76K8X6C0;5-21-11-00209 (Beilstein Handbook Reference);N-Methyl-alpha-methyl-alpha-phenylsuccinimide;DTXCID603293;1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione;CCG-213444;alpha-Methylphensuximide;METHSUXIMIDE (USP-RS);SR-01000942246-1;N03AD03;Mesuximide [INN];HMS3264P21;SBI-0653356.0001;DA-65373;BRD-A57592049-001-01-6;Mesuximide; Celontin;

标识符

MDL:
MFCD00072132
InChIKey:
AJXPJJZHWIXJCJ-UHFFFAOYSA-N
Inchi:
1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3
SMILES:
O=C1C(C)(C2C=CC=CC=2)CC(N1C)=O

甲琥胺(77-41-8)物化性质

实验特性

  • LogP : 1.27090
  • PSA : 37.38000
  • 折射率 : 1.5440 (estimate)
  • 沸点 : bp0.1 121-122°
  • 熔点 : 52-53°
  • 闪点 : 191.7°C
  • 密度 : 1.1255 (rough estimate)

计算特性

  • 精确分子量 : 203.09500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 203.094629
  • 重原子数量 : 15
  • 复杂度 : 294
  • 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) : 1.2
  • 拓扑分子极性表面积 : 37.4

甲琥胺(77-41-8)安全信息

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