HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Methylphenylethanolamine
HALOSTACHINE · 2-(methylamino)-1-phenylethan-1-ol · win5529-2 · N-METHYLPHENYLETHANOLAMINE · HalogetonGlomeratusAlkaloid · 2-METHYLAMINO-1-PHENYLETHANOL · 2-(methylamino)-1-phenyl-ethano · alpha-(methylamino)benzylalcohol
Identifiers & Physical Properties
| CAS No. | 6589-55-5 |
|---|---|
| Molecular formula | C9H13NO |
| Average molar mass | 151.21 g/mol |
| Monoisotopic mass | 151.09971404 g/mol |
| SMILES | CNCC(O)c1ccccc1 |
| InChIKey | ZCTYHONEGJTYQV-UHFFFAOYSA-N |
| PubChem CID | 913 |
| ChEBI | CHEBI:16913 |
| EC No. | 229-525-5 |
| DTXSID | DTXSID90988242 |
Chemical & Physical Properties
| XLogP | -0.3 |
|---|---|
| Topological polar surface area | 32.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 99 |
| Melting point | 74 - 76 °C74-76 °C (lit.) |
| Physical Description | Solid |
| Boiling point | 132-133 °C(Press: 15 Torr) |
| Density | 1.02 g/cm3(Temp: 0 °C) |
| Storage conditions | 2-8°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Fine Crystalline Needles |
| pKa (acidity coefficient) | 14.03±0.20(Predicted) |
| Color | White |
| Merck | 14,4601 |
| BRN | 1072841 |
| Stability | Stable. Incompatible with acids, acid chlorides, acid anhydrides, oxidizing agents. |
| InChI | InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3 |
| InChIKey | ZCTYHONEGJTYQV-UHFFFAOYSA-N |
| SMILES | C(C1C=CC=CC=1)(O)CNC |
| FDA UNII | U7B63FX8CH |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302+H332 |
| GHS precautionary statements | P261-P264-P270-P271-P301+P312-P304+P340+P312 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xn |
| Risk statements (R) | 20/22 |
| Safety statements (S) | 36 |
| Water hazard class (WGK) | 3 |
| RTECS number | DO9625000 |
| Customs code | 29221985 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 InhalationAcute Tox. 4 Oral |
Safety & Regulations
| GHS classification | WarningH302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (90.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (90.9%)Skin Irrit. 2 (11.4%)Eye Irrit. 2A (11.4%)STOT SE 3 (11.4%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| RTECS number | DO9625000 |
| Customs code | 29221985 |
| Risk statements (R) | 20/22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 36 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302+H332 |
| Hazard class | Acute Tox. 4 InhalationAcute Tox. 4 Oral |
| GHS precautionary statements | P261-P264-P270-P271-P301+P312-P304+P340+P312 |
Applications & Uses
Uses
α-(Methylaminomethyl)benzyl alcohol was used in the synthesis of 1,4-disubstituted-2,3,4,5-tetrahydro-1H-3-benzazepines. It was also used as internal standard during determination of pseudoephedrine and phenylpropanolamine urine concentrations by HPLC.
General Description
α-(Methylaminomethyl)benzyl alcohol is a potential substrate for studies involving phenylethanolamine-N-methyltransferase.