基本情報
- CAS
1134-01-6- 標準SMILES
CNCCc1c[nH]c2ccc(O)cc12- InChIKey
ASUSBMNYRHGZIG-UHFFFAOYSA-N- 分子式
- C11H14N2O
- 平均分子量
- 190.24 g/mol
- 単同位体質量
- 190.11061307
概要
N-methylserotonin is a member of the class of tryptamines that is serotonin in which one of the hydrogens attached to the primary amino group is replaced by a methyl group. It has a role as a plant metabolite and a human metabolite. It is a member of tryptamines and a member of phenols. It is functionally related to a serotonin.
名称と識別子
- 優先名称
- N-Methylserotonin
- IUPAC
- 3-[2-(methylamino)ethyl]-1H-indol-5-ol
- 英語名
- 3-(2-methylaminoethyl)-1H-indol-5-ol
- 分子式
- C11H14N2O
- 分子量
- 190.24
名称と別名
N-Methylserotonin1134-01-63-[2-(methylamino)ethyl]-1H-indol-5-ol3-(2-(methylamino)ethyl)-1H-indol-5-olMZ25L5SJ6Z1H-Indol-5-ol, 3-[2-(methylamino)ethyl]-DTXSID401503961H-Indol-5-ol, 3-(2-(methylamino)ethyl)-CHEBI:48294RefChem:163898DTXCID2072887N-Methyl Serotonin
名称をさらに表示
3-[2-(MethylaMino)ethyl]indol-5-olSerotonin Impurity 1 (N-Methyl Serotonin)3-(2-methylaminoethyl)-1H-indol-5-ol,N-Methyl Serotonin
3-(2-METHYLAMINOETHYL)-1H-INDOL-5-OLLopac-M-1514CHEMBL277362N-Methyl-5-hydroxytryptamineN-Methylserotonin?N'-methyl serotoninN'-methyl-serotoninSerotonin Impurity N2
データベース識別子
- CAS
1134-01-6- PubChem CID
- 150885
- DTXSID
DTXSID40150396- ChEMBL
CHEMBL277362- ChEBI
CHEBI:48294- UNII
- MZ25L5SJ6Z
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 48.1 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 186
実験および物理化学的性質
Physical DescriptionSolid
物理化学的性質
- 融点
- 153 · 153-156 °C
- 沸点
- 402.6 · 402.6±30.0 °C(Predicted)
- 比重(密度)
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 9.97 · 9.97±0.40(Predicted)
化学と産業
薬理情報
Cellular LocationsCytoplasm
Metabolite PathwaysTryptophan metabolism
応用分野
使用N-Methylserotonin is the N-methylated derivative of serotonin with similar activity. Studies have identified N-Methylserotonin as a potential active constituent that contributes to the serotonergic activity of black cohosh.
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