Phenylpropanolamine
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CAS Number 14838-15-4
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Catalog Number io-406926
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Molecular Weight 151.2100
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SMILES
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(-)-norephedrine is an amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid. It has a role as a plant metabolite. It is a member of amphetamines and a phenethylamine alkaloid.
| 1 | phenylpropanolamine |
| 2 | Propadrine |
| 3 | Phenylpropanolaminum |
| 4 | Phenylfenesin |
| 5 | Rinexin |
| Molecular Formula | C9H13NO |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 151.2100 |
| InChIKey | DLNKOYKMWOXYQA-CBAPKCEASA-N |
| InChI | InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1 |
| XLogP | 0.8000 |
| ExactMass | 151.0997 |
| MonoisotopicMass | 151.0997 |
| TPSA | 46.3000 |
| Complexity | 110.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 11 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 2 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1637 |
| PatentFamilyCount | 707 |
| LiteratureCount | 3330 |
