| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:35 UTC |
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| Update Date | 2025-03-21 18:40:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128470 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C11H12N2 |
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| Molecular Mass | 172.1 |
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| SMILES | CC1(c2ccc(C#N)cc2)CNC1 |
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| InChI Key | QBOKGERZBIVTJN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azetidines |
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| Subclass | phenylazetidines |
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| Direct Parent | phenylazetidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzonitrilesdialkylamineshydrocarbon derivativesnitrilesorganopnictogen compounds |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietynitrilearomatic heteromonocyclic compoundazacycle3-phenylazetidinesecondary aminebenzonitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileamine |
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