3-chloro-9-methyl-N-(4-nitrophenyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona- 1,3,5,7-tetraen-5-amine (CAS 5444-57-5) — formula C12H9ClN6O2, molecular weight 304.69; category organic chemicals.
| CAS Number | 5444-57-5 |
|---|---|
| Molecular Formula | C12H9ClN6O2 |
| Molecular Weight | 304.69 |
| LogP | 2.9 |
| Category | Organic Chemicals |
3-chloro-9-methyl-N-(4-nitrophenyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona- 1,3,5,7-tetraen-5-amine is a carbon-based organic compound with CAS registry number 5444-57-5 and molecular formula C12H9ClN6O2 (molecular weight 304.69), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5444-57-5
Its molecular formula C12H9ClN6O2 comprises 12 C, 9 H, 1 Cl, 6 N, 2 O atoms.
Also known as: 3-chloro-9-methyl-N-(4-nitrophenyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona- 1,3,5,7-tetraen-5-amine · 3-氯-9-甲基-N-(4-硝基苯基)-2,4,8,9-四氮杂双环[4.3.0]壬-1,3,5,7-四烯-5-胺
Category: organic chemicals
The CAS registry number of 3-chloro-9-methyl-N-(4-nitrophenyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona- 1,3,5,7-tetraen-5-amine is 5444-57-5.
Molecular formula C12H9ClN6O2, molecular weight 304.69.
It is also registered under: 3-chloro-9-methyl-N-(4-nitrophenyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona- 1,3,5,7-tetraen-5-amine, 3-氯-9-甲基-N-(4-硝基苯基)-2,4,8,9-四氮杂双环[4.3.0]壬-1,3,5,7-四烯-5-胺.
Category: Organic Chemicals.
Independent reference data for 3-chloro-9-methyl-N-(4-nitrophenyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona- 1,3,5,7-tetraen-5-amine (CAS 5444-57-5), compiled from public chemistry databases.
| CAS 号 | 5444-57-5 |
|---|---|
| PubChem CID | 227516 |
| 分子式 | C12H9ClN6O2 |
| IUPAC 名称 | 6-chloro-1-methyl-N-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
| UNII（FDA） | HMS2885G14 |
| Molecular Weight | 304.69 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 304.0475512 |
| Monoisotopic Mass | 304.0475512 |
| Topological Polar Surface Area | 101 |
| Heavy Atom Count | 21 |
5444-57-5; 6-chloro-1-methyl-n-(4-nitrophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine; MLS000737853; NSC19123; 1H-pyrazolo[3,4-d]pyrimidin-4-amine,6-chloro-1-methyl-n-(4-nitrophenyl)-; CHEMBL1381669; DTXSID20969584; HMS2885G14; 6-chloro-1-methyl-N-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine; NSC-19123; SMR000528190; DS-003011
3-氯-9-甲基-N-(4-硝基苯基)-2,4,8,9-四氮杂双环[4.3.0]壬-1,3,5,7-四烯-5-胺 · CAS 5444-57-5 · C12H9ClN6O2. UNII HMS2885G14.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-氯-9-甲基-N-(4-硝基苯基)-2,4,8,9-四氮杂双环[4.3.0]壬-1,3,5,7-四烯-5-胺