NP1
Summary
| Name: | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE |
| Formula: | C10 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 209.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(4-methyl-2-nitrophenyl)propane-1,3-diamine |
| OpenEye OEToolkits | 1.5.0 | N-(4-methyl-2-nitro-phenyl)propane-1,3-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cc(ccc1NCCCN)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(NCCCN)c(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | Cc1ccc(NCCCN)c(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)[N+](=O)[O-])NCCCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)[N+](=O)[O-])NCCCN |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3 |
| InChIKey | InChI | 1.03 | FKZUPMCBVURANR-UHFFFAOYSA-N |
