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(R)-4-[1-Hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
CAS: 51-43-4 | C9H13NO3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
51-43-4
Molecular Formula:
C9H13NO3
Molecular Weight:
183.207 g/mol
Names and Synonyms:
(R)-4-[1-Hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Synonym
N-[(2R)-2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]-N-methylamine
Synonym
NSC 62786
Synonym
Epiglaufrin
Synonym
Simplene
Synonym
Eppy
Synonym
Levorenen
Synonym
Glauposine
Synonym
Bronkaid Mist
Synonym
L-Methylaminoethanolcatechol
Synonym
Ana-Kit
Synonym
Epipen
Synonym
Primatene Mist
Synonym
Isoptoepinal
Synonym
(-)-(R)-Epinephrine
Synonym
(R)-Adrenaline
Synonym
Bosmin
Synonym
Epifrin
Synonym
Levoepinephrine
Synonym
Lyodrin
Synonym
L-Adrenaline
Synonym
Levoreninum
Synonym
R-(-)-Epinephrine
Synonym
(R)-Epinephrine
Synonym
Sus-phrine
Synonym
(-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol
Synonym
Epinephran
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
(-)-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
Identifiers:
SMILES:
CNC[C@H](O)c1ccc(O)c(O)c1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 183.207 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 183.089543276 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 13 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 72.72 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.35060000000000013 | RDKit |
| molecular_mass | 183.21 g/mol | Legacy Database |
| cas-canonical-smile | OC1=CC=C(C=C1O)C(O)CNC None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=UCTWMZQNUQWSLP-VIFPVBQESA-N None | Legacy Database |
| cas-melting-point | 211-212 °C None | Legacy Database |
| cas-name | (-)-Epinephrine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 48.658100000000026 | RDKit |