HuagongsheHuagongshe Chemistry Print Report · For research reference only
(+-)-Normetanephrine
Normetadrenaline · Normetadrenalin · (-Normetanephrine · O-Methylnoradrenaline · m-O-Methylnorepinephrine · a-(Aminomethyl)-vanillyl Alcohol · 3-Methoxy-4,b-dihydroxyphenylethylamine · 4-(2-amino-1-hydroxy-ethyl)-2-methoxy-phenol
Identifiers & Physical Properties
| CAS No. | 97-31-4 |
|---|---|
| Molecular formula | C9H13NO3 |
| Average molar mass | 183.2 g/mol |
| Monoisotopic mass | 183.08954328 g/mol |
| SMILES | COc1cc(C(O)CN)ccc1O |
| InChIKey | YNYAYWLBAHXHLL-UHFFFAOYSA-N |
| PubChem CID | 1237 |
| ChEMBL | CHEMBL774 |
| ChEBI | CHEBI:89951 |
| EC No. | 959-440-5 |
| DTXSID | DTXSID70861701 |
Chemical & Physical Properties
| XLogP | -0.9 |
|---|---|
| Topological polar surface area | 75.7 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 154 |
| LogP (partition coefficient) | -1.05 |
| Melting point | 204 °CHCl salt: 206-207, decomposition |
| Physical Description | Solid |
| Ionization Efficiency | Positive1.542.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Collision Cross Section | 155 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]155.4 Ų [M+Na]+ |
| Boiling point | 393.8±42.0 °C(Predicted) |
| Density | 1.249±0.06 g/cm3(Predicted) |
| Solubility | Water (easy), ethanol (soluble) |
| Physical state | Solid |
| pKa (acidity coefficient) | 10.02±0.31(Predicted) |
| Color | White to off-white |
| FDA UNII | 0J45DE6B88 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
Applications & Uses
Uses
Normetanephrine is an endogenous metabolite present in Cerebrospinal_Fluid that can be used for the research of Hypertension[1][2].