NP2
Summary
| Name: | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE |
| Formula: | C9 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 195.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(2-nitrophenyl)propane-1,3-diamine |
| OpenEye OEToolkits | 1.5.0 | N-(2-nitrophenyl)propane-1,3-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccccc1NCCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCCNc1ccccc1[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | NCCCNc1ccccc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)NCCCN)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)NCCCN)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,6-7,10H2 |
| InChIKey | InChI | 1.03 | GVGDDEYVTBKACE-UHFFFAOYSA-N |
