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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
Identifiers
CAS Registry Number
138-65-8
SMILES
NCC(O)c1ccc(O)c(O)c1
InChI Key
SFLSHLFXELFNJZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
Names and Synonyms
- (±)-Norepinephrine Synonym
- 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)- Synonym
- Benzyl alcohol, α-(aminomethyl)-3,4-dihydroxy-, (±)- Synonym
- 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (±)- Synonym
- Arterenol, dl- Synonym
- 4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol Synonym
- dl-Noradrenaline Synonym
- dl-Norepinephrine Synonym
- (±)-Noradrenaline Synonym
- (±)-Norepinephrine Synonym
- DL-Arterenol Synonym
- Racemic norepinephrine Synonym
- DL-Norepinephrine Synonym
- DL-Noradrenaline Synonym
- α-(Aminomethyl)-3,4-dihydroxybenzyl alcohol Synonym
- 2-Amino-1-(3,4-dihydroxyphenyl)ethanol Synonym
- 1-(3,4-Dihydroxy)phenyl-2-aminoethanol Synonym
- 4-(1-Hydroxy-2-aminoethyl)catechol Synonym
- NSC 294898 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.18 g/mol | CAS Common Chemistry |
| 169.17999999999998 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 |
| 86.71 Ų | RDKit | |
| LogP | 0.08989999999999998 | RDKit |
| 0.0899 | RDKit | |
| Molar Refractivity | 43.78580000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 169.073893212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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4
3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
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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.
External Resources
Related
Related molecules
Other compounds with formula C8H11NO3.
