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Noradrenaline
CAS: 51-41-2 | C8H11NO3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
51-41-2
Molecular Formula:
C8H11NO3
Molecular Mass:
169.18 g/mol
Names and Synonyms:
Noradrenaline
1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-
Benzyl alcohol, α-(aminomethyl)-3,4-dihydroxy-, (-)-
1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-
Arterenol, l-
4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol
Adrenor
Aktamin
l-2-Amino-1-(3,4-dihydroxyphenyl)ethanol
l-α-(Aminomethyl)-3,4-dihydroxybenzyl alcohol
(-)-α-(Aminomethyl)protocatechuyl alcohol
Arterenol
l-Arterenol
l-1-(3,4-Dihydroxyphenyl)-2-aminoethanol
l-3,4-Dihydroxyphenylethanolamine
Levarterenol
Levoarterenol
Levonorepinephrine
Noradrenaline
l-Noradrenaline
(-)-Noradrenaline
(-)-Norepinephrine
Norepirenamine
Sympathin E
l-Norepinephrine
Norepinephrine
Levophed
Levonoradrenaline
Noradrenalin
Norartrinal
(R)-(-)-Norepinephrine
Nor-Epirenan
Levonor
L-Noradrenaline
(-)-Arterenol
(R)-Noradrenaline
(R)-Norepinephrine
(R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol
Identifiers:
SMILES:
NC[C@H](O)c1ccc(O)c(O)c1
InChI:
InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
Key Properties
Melting Point
217 °C (decomp)
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.18 g/mol | CAS Common Chemistry |
| 169.17999999999998 g/mol | RDKit | |
| 169.073893212 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1O)C(O)CN | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SFLSHLFXELFNJZ-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | 217 °C (decomp) | CAS Common Chemistry |
| Name | Noradrenaline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 86.71000000000001 Ų | RDKit |
| LogP | 0.08989999999999998 | RDKit |
| Molar Refractivity | 43.78580000000002 | RDKit |
