W6L
Summary
| Name: | (3R)-3-amino-3-phenylpropanenitrile |
| Formula: | C9 H10 N2 |
| Formal charge: | 0 |
| Formula weight: | 146.189 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-amino-3-phenylpropanenitrile |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-azanyl-3-phenyl-propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CC#N)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | YHBWEFKGUHZLOA-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CC#N)c1ccccc1 |
| SMILES | CACTVS | 3.385 | N[CH](CC#N)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H](CC#N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CC#N)N |
