Chem
J-GLOBAL ID：200907000284984145
Nikkaji number：J5.058J
Betaine
ベタイン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C5H11[N+]O[O-]
Molecular formula furigana： C5-H11-N-O2
Molecular weight： 117.148
InChI：
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChI key：
KWIUHFFTVRNATP-UHFFFAOYSA-N
SMILES：
C[N+](C)(C)CC(=O)[O-]
Systematic name (19)：
- 2-(トリメチルアミニオ)酢酸アニオン
- N,N-ジメチル-N-(カルボキシラトメチル)メタンアミニウム
- トリメチルアミニオアセタート
- N,N,N-トリメチルアミニオアセタート
- カルボキシラトメチルトリメチルアミニウム
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- ベタイン
- Betaine
- Trimethylammonioacetate
- α-Carboxylato-N,N,N-trimethylmethanaminium
- Trimethylglycine
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Regulation number (6)：
- DS5900000
- EINECS2034906
- TSCA(107-43-7)
- (2)-1293
- (2)-1291
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KEGG DRUG：
D07523
KEGG COMPOUND：
C00719
Application (2)：
zwitterion
, metabolic drug
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