Cyclohexylamine
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CAS Number 108-91-8
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Catalog Number io-2071
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Classification Amines
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Molecular Weight 99.1700
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SMILES C1CCC(CC1)N
| Size | QTY | Notes | |
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Cyclohexylamine is a primary aliphatic amine consisting of cyclohexane carrying an amino substituent. It has a role as a human xenobiotic metabolite and a mouse metabolite. It is a conjugate base of a cyclohexylammonium.
| 1 | CYCLOHEXYLAMINE |
| 2 | Cyclohexanamine |
| 3 | Aminocyclohexane |
| 4 | Hexahydroaniline |
| 5 | Hexahydrobenzenamine |
| Molecular Formula | C6H13N |
|---|---|
| Canonical SMILES | C1CCC(CC1)N |
| Isomeric SMILES | C1CCC(CC1)N |
| Molecular Weight | 99.1700 |
| InChIKey | PAFZNILMFXTMIY-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2 |
| XLogP | 1.5000 |
| ExactMass | 99.1048 |
| MonoisotopicMass | 99.1048 |
| TPSA | 26.0000 |
| Complexity | 46.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 7 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 58396 |
| PatentFamilyCount | 24191 |
| LiteratureCount | 4169 |
