5457-31-8 ((1H-indol-3-yl-N,N,N-trimethylmethanaminium)

快速询单

结构式：

1H-indol-3-yl-N,N,N-trimethylmethanaminiumMOL文件

CAS号：

5457-31-8

英文名称：

1H-indol-3-yl-N,N,N-trimethylmethanaminium

分子式：

C₁₂H₁₇IN₂

分子量：

316.181255102158

1H-indol-3-yl-N,N,N-trimethylmethanaminium(5457-31-8)名称与标识符

名称

英文别名：

1H-indol-3-yl-N,N,N-trimethylmethanaminium;1H-indol-3-ylmethyl(trimethyl)azanium,iodide;3-(dimethylaminomethyl)indole methiodide;AC1O1ICP;gramine iodomethylate;Gramine methiodide;Gramine methiodide [MI];indol-3-ylmethyl-trimethyl-ammonium, iodide;methiodide of gramin;N,N,N-trimethyl-1H-indole-3-methanaminium iodide;NSC24943;trimethyl-3-indolylmethylammonium iodide;UNII-49388CS28A;Q27259218;AKOS002337009;49388CS28A;1H-Indole-3-methanaminium, N,N,N-trimethyl-, iodide (1:1);(3-Indolylmethyl)trimethylammonium iodide;SCHEMBL8721749;NSC 24943;DTXSID50202991;Ammonium, (indol-3-ylmethyl)trimethyl-, iodide;STGYYGWMNTXYAJ-UHFFFAOYSA-M;1-(1H-Indol-3-yl)-N,N,N-trimethylmethanaminium iodide;5457-31-8;1H-indol-3-ylmethyl(trimethyl)azanium;iodide;DONAXINE iodomethylate;1H-Indole-3-methanaminium, N,N,N-trimethyl-, iodide;NSC-24943;

标识符

InChIKey：

STGYYGWMNTXYAJ-UHFFFAOYSA-M

Inchi：

1S/C12H17N2.HI/c1-14(2,3)9-10-8-13-12-7-5-4-6-11(10)12;/h4-8,13H,9H2,1-3H3;1H/q+1;/p-1

SMILES：

[I-].[N+](C)(C)(C)CC1=CNC2C=CC=CC1=2

1H-indol-3-yl-N,N,N-trimethylmethanaminium(5457-31-8)物化性质

实验特性

PSA : 15.79

计算特性

精确分子量 : 189.13931
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 2
同位素质量 : 316.044
重原子数量 : 15
复杂度 : 195
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 : 0
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 : 2
拓扑分子极性表面积 : 15.8A^2

1H-indol-3-yl-N,N,N-trimethylmethanaminium(5457-31-8)相关文献

1. Novel 1-(1-benzyl-1H-indol-3-yl)-N,N,N-trimethylmethanaminium iodides are competitive antagonists for the human α4β2 and α7 nicotinic acetylcholine receptors
Edwin G. Pérez,Cristian Ocampo,Dominik Feuerbach,Jhon J. López,Guibeth L. Morelo,Ricardo A. Tapia,Hugo R. Arias Med. Chem. Commun. 2013 4 1166
2. Synthesis and stability of 1-aminoalkylphosphonic acid quaternary ammonium salts
Anna Brol,Tomasz K. Olszewski Org. Biomol. Chem. 2021 19 6422
3. Synthetical experiments related to the indole alkaloids
K. T. Potts,Robert Robinson J. Chem. Soc. 1955 2675
4. 886. Alkaloid studies. Part XLVIII. The structure of apparicine, a novel aspidosperma alkaloid
J. A. Joule,H. Monteiro,L. J. Durham,B. Gilbert,Carl Djerassi J. Chem. Soc. 1965 4773
5. Conversion of tetrahydro-γ-carbolines into hexahydro[1,2]diazepino[5,4-b]indoles via ylide intermediates. X-Ray crystal structure determination of 9-bromo-2,3-dimethyl-1,2,3,4,5,6-hexahydro[1,2]diazepino[5,4-b]indole
Yasumitsu Tamura,Hidetsugu Tsubouchi,Iwao Morita,Hiroyuki Ikeda,Masazumi Ikeda,Masaru Kido J. Chem. Soc. Perkin Trans. 1 1983 1937
6. 57. New syntheses of DL-tryptophan. Part I. Syntheses from ethyl α-aceto-β-3-indolylpropionate and ethyl α-cyano-β-3-indolylpropionate
D. O. Holland,J. H. C. Nayler J. Chem. Soc. 1953 280
7. Organic chemistry
J. Walker,W. A. Waters,B. C. L. Weedon,R. A. Raphael,J. F. W. McOmie,T. G. Halsall,J. W. Cornforth,A. S. Bailey,T. J. King,E. J. Bourne Annu. Rep. Prog. Chem. 1952 49 110
8. Index of subjects
Annu. Rep. Prog. Chem. 1946 43 348
9. 533. Alkaloid studies. Part XLV. Mass spectrometry in structural and stereochemical problems. Part XLII. Some aspects of the chemistry and mass spectrometry of uleine
J. A. Joule,Carl Djerassi J. Chem. Soc. 1964 2777
10. The reactions of some indole derivatives with benzoyl nitrate. Novel oxidative coupling reactions of 2-methylindoles
G. Berti,A. Da Settimo,E. Nannipieri J. Chem. Soc. C 1968 2145

结构相似化合物

乙胺丁醇相关物质B
CAS: 13712-78-2
4-甲基芦竹碱
CAS: 164119-81-7
6-甲基芦竹碱
CAS: 35998-04-0
1H-吲哚-3-甲胺
CAS: 22259-53-6
5-甲基芦竹碱
CAS: 30218-58-7
5,6-Epoxy-5,6-dihydroretinol acetate
CAS: 801-72-9
N-甲氧基-N-甲基4-溴-2-氟苯甲酰胺
CAS: 801303-33-3
2,3-DIHYDRO-6,N-DIMETHYL-1H-INDEN-1-AMINE
CAS: 801992-53-0

960化工网为您提供1H-indol-3-yl-N,N,N-trimethylmethanaminium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.5457-31-8,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:5457-31-8 国际站:5457-31-8