Identifiers & Physical Properties
| CAS No. | 13296-29-2 |
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| Molecular formula | C7H15N |
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| Average molar mass | 113.2 g/mol |
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| Monoisotopic mass | 113.12044948 g/mol |
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| SMILES | C=C(C)CCC(C)N |
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| InChIKey | RGQPKWZHUHUZPW-UHFFFAOYSA-N |
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| PubChem CID | 12463571 |
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| EC No. | 991-306-1 |
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Chemical & Physical Properties
| XLogP | 1.8 |
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| Topological polar surface area | 26 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 8 |
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| Formal charge | 0 |
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| Complexity | 76.5 |
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Safety & Regulations
| GHS classification | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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