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(±)-Norepinephrine
CAS: 138-65-8 | C8H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
138-65-8
Molecular Formula:
C8H11NO3
Molecular Mass:
169.18 g/mol
Names and Synonyms:
(±)-Norepinephrine
1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-
Benzyl alcohol, α-(aminomethyl)-3,4-dihydroxy-, (±)-
1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (±)-
Arterenol, dl-
4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol
dl-Noradrenaline
dl-Norepinephrine
(±)-Noradrenaline
(±)-Norepinephrine
DL-Arterenol
Racemic norepinephrine
DL-Norepinephrine
DL-Noradrenaline
α-(Aminomethyl)-3,4-dihydroxybenzyl alcohol
2-Amino-1-(3,4-dihydroxyphenyl)ethanol
1-(3,4-Dihydroxy)phenyl-2-aminoethanol
4-(1-Hydroxy-2-aminoethyl)catechol
NSC 294898
Identifiers:
SMILES:
NCC(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
Key Properties
Melting Point
216.5-218 °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 | CAS Common Chemistry |
| InChI Key | InChIKey=SFLSHLFXELFNJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 216.5-218 °C (decomp) | CAS Common Chemistry |
| Name | (±)-Norepinephrine | 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 |
