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Molecule
(±)-Norepinephrine Hydrochloride
CAS: 55-27-6 · C8H12ClNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 55-27-6
- Molecular Formula
- C8H12ClNO3
- Molecular Mass
- 205.64 g/mol
Identifiers
CAS Registry Number
55-27-6
SMILES
Cl.NCC(O)c1ccc(O)c(O)c1
InChI Key
FQTFHMSZCSUVEU-UHFFFAOYSA-N
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
Names and Synonyms
- (±)-Norepinephrine Hydrochloride Common Name
- 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, hydrochloride (1:1) Synonym
- Benzyl alcohol, α-(aminomethyl)-3,4-dihydroxy-, hydrochloride, (±)- Synonym
- 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, hydrochloride, (±)- Synonym
- 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, hydrochloride Synonym
- (±)-Noradrenaline hydrochloride Synonym
- dl-Norepinephrine hydrochloride Synonym
- dl-Noradrenaline hydrochloride Synonym
- DL-Arterenol hydrochloride Synonym
- (±)-Norepinephrine hydrochloride Synonym
- DL-Norepinephrine hydrochloride Synonym
- NSC 7930 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.64 g/mol | CAS Common Chemistry |
| 205.641 g/mol | RDKit | |
| 205.638 g/mol | chempirical lib | |
| 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 |
| 86.71 Ų | RDKit | |
| LogP | 0.5117 | RDKit |
| Molar Refractivity | 51.03380000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 205.050570924 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 205.64 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12ClNO3.
