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(R)-4-[1-Hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
CAS: 51-43-4 | C9H13NO3
2D Structure
3D Structure
Loading 3D structure...
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
N-[(2R)-2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]-N-methylamine
NSC 62786
Epiglaufrin
Simplene
Eppy
Levorenen
Glauposine
Bronkaid Mist
L-Methylaminoethanolcatechol
Ana-Kit
Epipen
Primatene Mist
Isoptoepinal
(-)-(R)-Epinephrine
(R)-Adrenaline
Bosmin
Epifrin
Levoepinephrine
Lyodrin
L-Adrenaline
Levoreninum
R-(-)-Epinephrine
(R)-Epinephrine
Sus-phrine
(-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol
Epinephran
(-)-Epinephrine
Chelafrin
1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-
Benzyl alcohol, 3,4-dihydroxy-α-[(methylamino)methyl]-, (-)-
1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, (R)-
4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol
Adnephrine
Adrenal
Adrenalin
(-)-Adrenaline
Adrenaline
l-Adrenaline
Adrenine
Adrin
l-1-(3,4-Dihydroxyphenyl)-2-methylaminoethanol
Epinefrina
(-)-Epinephrine
Epinephrine
l-Epirenamine
Epirenan
Exadrin
Hemisine
Hemostasin
Hemostatin
Hypernephrin
Levorenin
Levorenine
Methylarterenol
Mucidrina
Nephridine
Nieraline
Paranephrin
Renaglandin
Renaleptine
Renalina
Renoform
Renostypticin
Renostyptin
Scurenaline
Styptirenal
Supracapsulin
Supranephrane
Suprarenaline
Suprarenin
Surrenine
Takamina
Vasoconstrictine
Vasotonin
l-Epinephrine
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 0.35060000000000013 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 48.658100000000026 | RDKit |
