HuagongsheHuagongshe Chemistry Print Report · For research reference only
1H-indazol-7-amine
1H-Indazol-5-ylamine · 7-AMinoindazole · 177-Aminoinazole · 1H-Indazol-7-amine · 7-AMINO (1H)INDAZOLE · 1H-Indazol-7-ylaMine · 7-Amino-1H-indazole 97% · 1H-Indazol-7-amine ,97%
Identifiers & Physical Properties
| CAS No. | 21443-96-9 |
|---|---|
| Molecular formula | C7H7N3 |
| Average molar mass | 133.15 g/mol |
| Monoisotopic mass | 133.06399722 g/mol |
| SMILES | Nc1cccc2cn[nH]c12 |
| InChIKey | OTFFCAGPSWJBDK-UHFFFAOYSA-N |
| PubChem CID | 88901 |
| ChEMBL | CHEMBL463676 |
| EC No. | 244-391-8 |
| DTXSID | DTXSID10175718 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 54.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 126 |
| Melting point | 157-163 °C |
| Boiling point | 376.6±15.0 °C(Predicted) |
| Density | 1.367±0.06 g/cm3(Predicted) |
| RTECS number | NK7713000 |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (acidity coefficient) | 14.89±0.40(Predicted) |
| Physical state | Crystalline Solid |
| Color | Tan |
| InChI | 1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10) |
| InChIKey | OTFFCAGPSWJBDK-UHFFFAOYSA-N |
| SMILES | Nc1cccc2cn[nH]c12 |
| EWG's Food Scores | 1 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 34-36/37/38-22 |
| Safety statements (S) | 26-36/37/39 |
| UN transport number | 3259 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Water hazard class (WGK) | 3 |
| UN transport number | 3259 |
| Customs code | 29339900 |
| Risk statements (R) | 34-36/37/38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-36/37/39 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
1H-Indazol-7-amine is a substituted-indazole, an inhibitor of nitric oxide synthases.