1492-27-9 (1-丙胺,3-羧基-N,N,N-三甲基-2-[(1-氧代十二烷基)氧]-内盐,1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt)

CAS号:
1492-27-9
中文名称:
1-丙胺,3-羧基-N,N,N-三甲基-2-[(1-氧代十二烷基)氧]-内盐
英文名称:
1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt
分子式:
C17H33NO4
分子量:
315.448225736618

1-丙胺,3-羧基-N,N,N-三甲基-2-[(1-氧代十二烷基)氧]-内盐(1492-27-9)名称与标识符

名称

英文别名:
1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt;2-(1-hydroxy-2-trimethylazaniumylethyl)-3-oxododecanoate;4-Decanoylamino-phenol;4-n-decanoylaminophenol;AC1NB8QD;CHEMBL227806;CTK0J4671;Decanamide, N-(4-hydroxyphenyl)-;decanoic acid-(4-hydroxy-anilide);decanoyl carnitine;Decansaeure-(4-hydroxy-anilid);Decylcarnitin;N-(4-hydroxyphenyl)decananamide;O-Caprinoyl-carnitin;SureCN1133530;Decanoylcarnitine;O-decanoylcarnitine;2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-laurate;CHEMBL3559489;CAPRYL-DL-CARNITINE;Q27137205;(S)-3-(Decanoyloxy)-4-(trimethylammonio)butanoate;AMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, HYDROXIDE, INNER SALT, DECANOATE;CHEBI:68830;1492-27-9;DECANOYLCAR;UNII-VGK89VE61S;starbld0014185;LMFA07070059;(+/-)-decanoylcarnitine;VGK89VE61S;Acylcarnitine C10:0;3-decanoyloxy-4-(trimethylazaniumyl)butanoate;N,N,N-TRIMETHYL-2-(DECANOYLOXY)-3-CARBOXYLATO-1-PROPANEAMINIUM DECANOYL-DL-CARNITINE;3-(decanoyloxy)-4-(trimethylammonio)butanoate;1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxodecyl)oxy)-, inner salt;DECANOYL-(+/-)-CARNITINE;DECANOIC ACID, ESTER WITH (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM HYDROXIDE INNER SALT;AC(10:0);O-DECANOYLCARNITINE, DL;SCHEMBL234694;Decanoyl-DL-carnitine;DECANOYLCARNITINE, (+/-)-;J3.017.380E;3-(decanoyloxy)-4-(trimethylazaniumyl)butanoate;(3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM HYDROXIDE, INNER SALT, DECANOATE;1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt;

标识符

InChIKey:
LZOSYCMHQXPBFU-UHFFFAOYSA-N
Inchi:
1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3
SMILES:
O(C(CCCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C

1-丙胺,3-羧基-N,N,N-三甲基-2-[(1-氧代十二烷基)氧]-内盐(1492-27-9)物化性质

实验特性

  • PSA : 66.43
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : g/cm3

计算特性

  • 精确分子量 : 315.24109
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 12
  • 同位素质量 : 315.240959
  • 重原子数量 : 22
  • 复杂度 : 331
  • 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 : 2
  • 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) : 4.5
  • 拓扑分子极性表面积 : 77.4

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1-丙胺,3-羧基-N,N,N-三甲基-2-[(1-氧代十二烷基)氧]-内盐(1492-27-9)相关文献