N-Methylphenylethanolamine (HCID 913)

Namen und Bezeichner

Bevorzugter Name: N-Methylphenylethanolamine
IUPAC: 2-(methylamino)-1-phenylethanol
Lokaler Name: α-[(Methylamino)methyl]benzylalkohol
Englischer Name: DL-alpha-(Methylaminomethyl)benzyl alcohol
Summenformel: C9H13NO
Molmasse: 151.21

Namen und Synonyme

N-methylphenylethanolamine2-(methylamino)-1-phenylethan-1-ol68579-60-2(+-)-alpha-((Methylamino)methyl)benzenemethanolBenzyl alcohol, alpha-((methylamino)methyl)-, dl-U7B63FX8CHCHEBI:16913MPEOARefChem:830763N-methylphenylethanolamine hydrochloride2-(Methylamino)-1-phenylethanol6589-55-5

Weitere Namen anzeigen

HALOSTACHINEwin5529-2HalogetonGlomeratusAlkaloid2-(methylamino)-1-phenyl-ethanoalpha-(methylamino)benzylalcoholα-(methylaminomethyl)benzyl alcohol±-(Methylaminomethyl)benzyl alcohol

(+-)-Halostachinedl-alpha-(Methylaminomethyl)benzyl alcohol2-Methylamino-1-phenyl-ethanolalpha-(Methylaminomethyl)benzyl alcohol2-Methylamino-1-phenylethanol(+/-)-halostachineMFCD00004506dl-Halostachine

Datenbank-Bezeichner

CAS: 6589-55-5、68579-60-2
PubChem CID: 913
DTXSID: DTXSID90988242
ChEBI: CHEBI:16913
UNII: U7B63FX8CH
EC Number: 229-525-5
Nikkaji: J41.847A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 99

Experimentelle und physikochemische Eigenschaften

Melting Point74 - 76 °C

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt: 74 · 74-76 °C (lit.)
Siedepunkt: 132 · 132-133 °C(Press: 15 Torr)
Dichte: 1.02 g/cm3 · 1.02 g/cm3(Temp: 0 °C)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Fine Crystalline Needles
pka: 14.03 · 14.03±0.20(Predicted)
Farbe: White
Merck: 14 · 14,4601
BRN: 1072841 · 1072841
Stabilität: 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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (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 exposure; Respiratory 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2A (11.4%)；Acute Tox. 4 (90.9%)；STOT SE 3 (11.4%)

Sicherheitsdaten

wgk: 3
hs_code: 29221985
RTECS-Nr.: DO9625000
risk_code: 20/22
hazard_code: Xn
safety_code: 36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 Oral

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwendenα-(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.