1492-26-8 (1-丙胺，3-羧基-N，N，N-三甲基-2-（1-氧代丁氧基）-内盐,1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt)

快速询单

结构式：

1-丙胺，3-羧基-N，N，N-三甲基-2-（1-氧代丁氧基）-内盐MOL文件

CAS号：

1492-26-8

中文名称：

1-丙胺，3-羧基-N，N，N-三甲基-2-（1-氧代丁氧基）-内盐

英文名称：

1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt

分子式：

C₁₁H₂₁NO₄

分子量：

231.28874373436

1-丙胺，3-羧基-N，N，N-三甲基-2-（1-氧代丁氧基）-内盐(1492-26-8)名称与标识符

名称

英文别名：

1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt;3-butanoyloxy-4-(trimethylazaniumyl)butanoate;Butyroyl carnitine;Butyryl carnitine (isomer of 919);carnitine butyrate;LMFA07070054;CHEBI:7676;R-BUTYRYL CARNITINE;DTXSID601151733;CHEMBL2074693;Butyryl-carnitine;O-Butanoylcarnitine;SCHEMBL237454;C02862;1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt;QWYFHHGCZUCMBN-UHFFFAOYSA-N;1492-26-8;3-(Butyryloxy)-4-(trimethylammonio)butanoate;3-(butanoyloxy)-4-(trimethylazaniumyl)butanoate;Q27107557;O-butyrylcarnitine;Acylcarnitine C4:0;

标识符

InChIKey：

QWYFHHGCZUCMBN-UHFFFAOYSA-N

Inchi：

1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3

SMILES：

O(C(CCC)=O)C(CC(=O)[O-])C[N+](C)(C)C

1-丙胺，3-羧基-N，N，N-三甲基-2-（1-氧代丁氧基）-内盐(1492-26-8)物化性质

实验特性

PSA : 66.43

计算特性

精确分子量 : 245.16279
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 7
同位素质量 : 231.147
重原子数量 : 16
复杂度 : 239
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 : 66.4Å²

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960化工网为您提供1-丙胺，3-羧基-N，N，N-三甲基-2-（1-氧代丁氧基）-内盐专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.1492-26-8,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:1492-26-8 国际站:1492-26-8