HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 40468298Generated: November 4, 2026
trans-3-Benzylaminocyclobutanecarboxylic acid
trans-3-(benzylamino)cyclobutane-1-carboxylic acid · trans-3-[(phenylmethyl)amino]cyclobutanecarboxylic acid · trans-3-[(Phenylmethyl)amino]cyclobutanecarboxylic acid TFA · Cyclobutanecarboxylic acid, 3-[(phenylmethyl)amino]-, trans- · trans-3-[(phenylMethyl)aMino]cyclobutanecarboxylic acid TFA (1:1) · trans-3-[(phenylmethyl)amino]cyclobutanecarboxylic acid TFA (1:1) - P10685 · trans-3-[(Phenylmethyl)amino]cyclobutanecarboxylic acid trifluoroacetic acid (1:1)
https://huagongshe.com/en/chemical/40468298
Identifiers & Physical Properties
| CAS No. | 1274904-54-9 |
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| Molecular formula | C12H15NO2 |
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| Average molar mass | 205.25 g/mol |
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| Monoisotopic mass | 205.11027872 g/mol |
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| SMILES | O=C(O)C1CC(NCc2ccccc2)C1 |
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| InChIKey | AEZROTIRNKHKAU-XYPYZODXSA-N |
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| PubChem CID | 40468298 |
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| EC No. | 801-078-6 |
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Chemical & Physical Properties
| XLogP | -0.9 |
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| Topological polar surface area | 49.3 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 218 |
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| Boiling point | 371.2±35.0 °C(Predicted) |
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| Density | 1.18±0.1 g/cm3(Predicted) |
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| Storage conditions | Store at Room Tem. |
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| pKa (acidity coefficient) | 4.01±0.20(Predicted) |
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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-P264-P280-P305+P351+P338-P337+P313P |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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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-P264-P280-P305+P351+P338-P337+P313P |
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