HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 42580098Generated: October 28, 2026
rel-(1R,2R,3S,4S)-3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxamide
3-exo-Aminobicyclo[2.2.1]hept-5-ene-2-carboxamide · diexo-3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxamide · 3-exo-Aminobicyclo[2.2.1]hept-5-ene-2-exo-carboxamide · 3-EXO-AMINOBICYCLO[2.2.1]HEPT-5-ENE-2-EXO-CARBOXAMIDE 99+% · 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide hydrochloride · DIEXO-3-AMINO-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID AMIDE · rel-(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide · rel-(1S,2S,3R,4R)-3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxamide
https://huagongshe.com/en/chemical/42580098
Identifiers & Physical Properties
| CAS No. | 105786-40-1 |
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| Molecular formula | C8H12N2O |
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| Average molar mass | 152.19 g/mol |
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| Monoisotopic mass | 152.09496301 g/mol |
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| SMILES | NC(=O)[C@@H]1[C@H](N)[C@H]2C=C[C@@H]1C2 |
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| InChIKey | SCQSHSJVMGGQKR-JRTVQGFMSA-N |
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| PubChem CID | 42580098 |
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| EC No. | 884-354-9 |
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Chemical & Physical Properties
| XLogP | -0.3 |
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| Topological polar surface area | 69.1 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 224 |
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| Melting point | 235-253 °C |
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| Boiling point | 274.67°C (rough estimate) |
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| Density | 1.0996 (rough estimate) |
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| Refractive index | 1.4940 (estimate) |
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| Storage conditions | Store at 0-8 °C |
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| Physical state | Crystalline Powder |
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| pKa (acidity coefficient) | 16.32±0.40(Predicted) |
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| Color | White |
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| CAS DataBase Reference | 105786-40-1 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501 |
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| Safety statements (S) | 24/25 |
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| Customs code | 29242998 |
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Safety & Regulations
| Customs code | 29242998 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Safety statements (S) | 24/25 |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501 |
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![rel-(1R,2R,3S,4S)-3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxamide molecular structure](/img/chemical/42580098.png)