HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Aminocyclopentanemethanol
(1-Aminocyclopentyl)methanol · Cycloleucinol · (1-Aminocyclopentyl) · CYCLOLEUCINOL USP/EP/BP · 1-Amino-1- Cyclopentanol · 1-Aminocyclopentanemethanol · 1-amino-cyclopentanemethano · 1-amino-1-cycloamyl carbinol
Identifiers & Physical Properties
| CAS No. | 10316-79-7 |
|---|---|
| Molecular formula | C6H13NO |
| Average molar mass | 115.17 g/mol |
| Monoisotopic mass | 115.09971404 g/mol |
| SMILES | NC1(CO)CCCC1 |
| InChIKey | PDNZJLMPXLQDPL-UHFFFAOYSA-N |
| PubChem CID | 66307 |
| EC No. | 233-697-7 |
| DTXSID | DTXSID10145678 |
Chemical & Physical Properties
| XLogP | -0.3 |
|---|---|
| Topological polar surface area | 46.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 76.6 |
| Melting point | 20 °C(lit.) |
| Boiling point | 85-90 °C10 mm Hg(lit.) |
| Density | 0.9837 (rough estimate) |
| Refractive index | 1.4713 (estimate) |
| Flash point | 204 °F |
| Storage conditions | Store at 0-8 °C |
| pKa (acidity coefficient) | 15.05±0.10(Predicted) |
| InChI | 1S/C6H13NO/c7-6(5-8)3-1-2-4-6/h8H,1-5,7H2 |
| InChIKey | PDNZJLMPXLQDPL-UHFFFAOYSA-N |
| SMILES | NC1(CO)CCCC1 |
| EWG's Food Scores | 1 |
| FDA UNII | X2JZ28V2QE |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| RTECS number | GY4620000 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH315 (97.6%): 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)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| RTECS number | GY4620000 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
1-Amino-1-cyclopentanemethanol was used in the synthesis of xanthine-derived heterocyclic fused systems. It was also used as building block in medicinal chemistry synthesis.
Uses
CYCLOLEUCINOL Often used building block in medicinal chemistry synthesis.1,2