| SKU | Size | Availability | Price | Qty |
|---|---|---|---|---|
| A349336-100mg | 100mg | 3 | $133.90 | |
| A349336-250mg | 250mg | 2 | $302.90 | |
| A349336-1g | 1g | 2 | $1,088.90 |
| Synonyms | (3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine | TQP1002 | (S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole | DTXSID70576808 | (S)-(+)-NBD-APy | (S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan | (S)-1-(7-Nitrobenzo[c][1, |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Store at 2-8°C |
| Shipped In | Wet ice |
| Pubchem Sid | 504767930 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767930 |
| IUPAC Name | (3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine |
| INCHI | InChI=1S/C10H11N5O3/c11-6-3-4-14(5-6)7-1-2-8(15(16)17)10-9(7)12-18-13-10/h1-2,6H,3-5,11H2/t6-/m0/s1 |
| InChi Key | QSDDQXROWUJAJX-LURJTMIESA-N |
| Canonical SMILES | C1CN(CC1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| Isomeric SMILES | C1CN(C[C@H]1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| Molecular Weight | 249.23 |
| Reaxy-Rn | 40535721 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40535721&ln= |
| Refractive Index | 14.5° |
|---|---|
| Molecular Weight | 249.230 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 249.086 Da |
| Monoisotopic Mass | 249.086 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 336.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| Pictogram(s) | GHS07 |
|---|---|
| Signal | Warning |
| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
| Reaxy-Rn | 40535721 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40535721&ln= |
| Purity(HPLC) | 95-100（%） |
|---|---|
| Proton NMR spectrum | Conforms to structure |
| Appearance(A349336) | Light yellow to Amber to Dark green to red powder to crystal |
| Specific rotation [α]20/D(C=0.2, CH3CN) | 12-17（°） |
B2224266