Name: Dicyclohexylammonium 3-hydroxy-1-methylpropylmercapturic acid
Rating: 5 (10 reviews)

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HIT ID:HIT220773498
Cas No:33164-70-4
常用名:Dicyclohexylammonium 3-hydroxy-1-methylpropylmercapturic acid
常用名:Dicyclohexylammonium 3-hydroxy-1-methylpropylmercapturic acid
IUPAC:(2S)-2-acetamido-3-[(4-hydroxybutan-2-yl)sulfanyl]propanoic acid; N-cyclohexylcyclohexanamine
IUPAC:(2S)-2-acetamido-3-[(4-hydroxybutan-2-yl)sulfanyl]propanoic acid; N-cyclohexylcyclohexanamine
InChI key:InChIKey=FUBHBRRJHGBLML-AMOYBQQFSA-N

分子式:C21H40N2O4S
分子量:416.62
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C1CCC(CC1)NC1CCCCC1.CC(CCO)SC[C@@H](NC(C)=O)C(O)=O
SMILES:C1CCC(CC1)NC1CCCCC1.CC(CCO)SC[C@@H](NC(C)=O)C(O)=O

Dicyclohexylammonium 3-hydroxy-1-methylpropylmercapturic acid 是巴豆醛（Crotonaldehyde）的代谢产物。巴豆醛是一种有机醛，广泛用于合成塑料、药物和香料。

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