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Molecule
(-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol
CAS: 51-43-4 · C9H13NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 51-43-4
- Molecular Formula
- C9H13NO3
- Molecular Mass
- 183.21 g/mol
Identifiers
CAS Registry Number
51-43-4
SMILES
CNC[C@H](O)c1ccc(O)c(O)c1
InChI Key
UCTWMZQNUQWSLP-VIFPVBQESA-N
InChI
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
Names and Synonyms
- (-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol Synonym
- Sus-phrine Synonym
- (R)-Epinephrine Synonym
- R-(-)-Epinephrine Synonym
- Levoreninum Synonym
- L-Adrenaline Synonym
- Lyodrin Synonym
- Levoepinephrine Synonym
- Epifrin Synonym
- Bosmin Synonym
- (R)-Adrenaline Synonym
- (-)-(R)-Epinephrine Synonym
- Isoptoepinal Synonym
- Primatene Mist Synonym
- Epipen Synonym
- Ana-Kit Synonym
- L-Methylaminoethanolcatechol Synonym
- Bronkaid Mist Synonym
- Glauposine Synonym
- Levorenen Synonym
- Eppy Synonym
- Simplene Synonym
- Epiglaufrin Synonym
- NSC 62786 Synonym
- N-[(2R)-2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]-N-methylamine Synonym
- (R)-4-[1-Hydroxy-2-(methylamino)ethyl]benzene-1,2-diol Synonym
- (-)-Epinephrine Synonym
- Chelafrin Synonym
- 1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]- Synonym
- Benzyl alcohol, 3,4-dihydroxy-α-[(methylamino)methyl]-, (-)- Synonym
- 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, (R)- Synonym
- 4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol Synonym
- Adnephrine Synonym
- Adrenal Synonym
- Adrenalin Synonym
- (-)-Adrenaline Synonym
- Adrenaline Synonym
- l-Adrenaline Synonym
- Adrenine Synonym
- Adrin Synonym
- l-1-(3,4-Dihydroxyphenyl)-2-methylaminoethanol Synonym
- Epinefrina Synonym
- Epinephran Synonym
- (-)-Epinephrine Synonym
- Epinephrine Synonym
- l-Epirenamine Synonym
- Epirenan Synonym
- Exadrin Synonym
- Hemisine Synonym
- Hemostasin Synonym
- Hemostatin Synonym
- Hypernephrin Synonym
- Levorenin Synonym
- Levorenine Synonym
- Methylarterenol Synonym
- Mucidrina Synonym
- Nephridine Synonym
- Nieraline Synonym
- Paranephrin Synonym
- Renaglandin Synonym
- Renaleptine Synonym
- Renalina Synonym
- Renoform Synonym
- Renostypticin Synonym
- Renostyptin Synonym
- Scurenaline Synonym
- Styptirenal Synonym
- Supracapsulin Synonym
- Supranephrane Synonym
- Suprarenaline Synonym
- Suprarenin Synonym
- Surrenine Synonym
- Takamina Synonym
- Vasoconstrictine Synonym
- Vasotonin Synonym
- l-Epinephrine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.21 g/mol | CAS Common Chemistry |
| 183.207 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1O)C(O)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UCTWMZQNUQWSLP-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 211-212 °C | CAS Common Chemistry |
| Name | (-)-Epinephrine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.72 Ų | RDKit |
| LogP | 0.35060000000000013 | RDKit |
| 0.3506 | RDKit | |
| Molar Refractivity | 48.658100000000026 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 183.089543276 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 183.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13NO3.
