4LJ
Summary
Name: | 1.7.6 3-bromanylpropan-1-amine |
Formula: | C3 H8 Br N |
Formal charge: | 0 |
Formula weight: | 138.006 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.7.6 | 3-bromanylpropan-1-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2 |
InChIKey | InChI | 1.03 | ZTGQZSKPSJUEBU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCCBr |
SMILES | CACTVS | 3.385 | NCCCBr |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CN)CBr |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CN)CBr |