HuagongsheHuagongshe Chemistry Print Report · For research reference only
1',3'-Dihydrospiro(cyclohexane-1,2'-(2H)imidazo(4,5-b)pyridine)
TIMTEC-BB SBB000278 · LABOTEST-BB LT00053185 · 1',3'-dihydrospiro(cyclohexane-1,2'-(2H)-imidazo( · dihydrospiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine · 1',3'-Dihydrospiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine] · Spiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine], 1',3'-dihydro- · 1′,3′-Dihydrospiro[cyclohexane-1,2′-[2H]imidazo[4,5-b]pyridine] · 1′,3′-Dihydrospiro[cyclohexane-1,2′-[2H]imidazo[4,5-b]pyridine], CAS 76902-24-4
Identifiers & Physical Properties
| CAS No. | 76902-24-4 |
|---|---|
| Molecular formula | C11H15N3 |
| Average molar mass | 189.26 g/mol |
| Monoisotopic mass | 189.12659748 g/mol |
| SMILES | c1cnc2c(c1)NC1(CCCCC1)N2 |
| InChIKey | OUKQLJBANRHVIM-UHFFFAOYSA-N |
| PubChem CID | 589729 |
| EC No. | 623-178-7 |
| DTXSID | DTXSID50343439 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 37 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 211 |
| Melting point | 216-220 °C(lit.) |
| Boiling point | 456.1±38.0 °C(predicted) |
| Density | 1.31±0.1 g/cm3(Temp: 20 °CPress: 760 Torr)(predicted) |
| Physical state | solid |
| pKa (acidity coefficient) | 15.39±0.20(predicted) |
| InChI | 1S/C11H15N3/c1-2-6-11(7-3-1)13-9-5-4-8-12-10(9)14-11/h4-5,8,13H,1-3,6-7H2,(H,12,14) |
| InChIKey | OUKQLJBANRHVIM-UHFFFAOYSA-N |
| SMILES | C1CCC2(CC1)Nc3cccnc3N2 |
| 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) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 11 - Combustible Solids |
| 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′,3′-Dihydrospiro[cyclohexane-1,2′-[2H]imidazo[4,5-b]pyridine]is a heterocyclic building block.
General Description
1′,3′-Dihydrospiro[cyclohexane-1,2′-[2H]imidazo[4,5-b]pyridine]is a heterocyclic building block.