WSM
Summary
| Name: | 4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one |
| Formula: | C11 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 206.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one |
| OpenEye OEToolkits | 2.0.7 | 4-(3-azanylpropyl)-1,4-benzoxazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NCCCN2c1c(cccc1)OCC2=O |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O2/c12-6-3-7-13-9-4-1-2-5-10(9)15-8-11(13)14/h1-2,4-5H,3,6-8,12H2 |
| InChIKey | InChI | 1.03 | HKOUXYKBIBMSMY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCN1C(=O)COc2ccccc12 |
| SMILES | CACTVS | 3.385 | NCCCN1C(=O)COc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(C(=O)CO2)CCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(C(=O)CO2)CCCN |
