Back to Search
(±)-Norepinephrine Hydrochloride
CAS: 55-27-6 | C8H12ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
55-27-6
Molecular Formula:
C8H12ClNO3
Molecular Mass:
205.64 g/mol
Names and Synonyms:
(±)-Norepinephrine Hydrochloride
1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, hydrochloride (1:1)
Benzyl alcohol, α-(aminomethyl)-3,4-dihydroxy-, hydrochloride, (±)-
1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, hydrochloride, (±)-
1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, hydrochloride
(±)-Noradrenaline hydrochloride
dl-Norepinephrine hydrochloride
dl-Noradrenaline hydrochloride
DL-Arterenol hydrochloride
(±)-Norepinephrine hydrochloride
DL-Norepinephrine hydrochloride
NSC 7930
Identifiers:
SMILES:
Cl.NCC(O)c1ccc(O)c(O)c1
InChI:
InChI=1S/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H
Key Properties
Melting Point
292 °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 | 205.64 g/mol | CAS Common Chemistry |
| 205.641 g/mol | RDKit | |
| 205.050570924 g/mol | RDKit | |
| Canonical SMILES | Cl.OC1=CC=C(C=C1O)C(O)CN | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=FQTFHMSZCSUVEU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 292 °C (decomp) | CAS Common Chemistry |
| Name | (±)-Norepinephrine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 0.5117 | RDKit |
| Molar Refractivity | 51.03380000000002 | RDKit |
