3-((Methylamino)methyl)phenol

HCID 10486905

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Grundinformationen

CAS: 123926-62-5
Standard-SMILES: CNCc1cccc(O)c1
InChIKey: JVUOJMODQRWSRP-UHFFFAOYSA-N
Summenformel: C8H11NO
Durchschnittliche Molmasse: 137,18 g/mol
Monoisotopische Masse: 137,08406397

Namen und Bezeichner

Bevorzugter Name: 3-((Methylamino)methyl)phenol
IUPAC: 3-(methylaminomethyl)phenol
Englischer Name: 3-[(methylamino)methyl]phenol
Summenformel: C8H11NO
Molmasse: 137.18

Namen und Synonyme

3-[(methylamino)methyl]phenol123926-62-53-((Methylamino)methyl)phenolDTXSID80440622RefChem:273036DTXCID40391444846-026-33-(methylaminomethyl)phenolPhenol, 3-[(methylamino)methyl]-MFCD097335713-[(Methylamino)methyl]-phenolALBB-004075

Weitere Namen anzeigen

3-[(methylamino)methyl]phenol(SALTDATA: FREE)

N-methyl-3-hydroxybenzylamineSCHEMBL1488012SCHEMBL1488015SCHEMBL9978260CHEMBL4575500JVUOJMODQRWSRP-UHFFFAOYSA-NSBB046532AKOS000139794

Datenbank-Bezeichner

CAS: 123926-62-5
PubChem CID: 10486905
DTXSID: DTXSID80440622
ChEMBL: CHEMBL4575500
EC Number: 846-026-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 95

Physikochemische Eigenschaften

Schmelzpunkt: 157 · 157-159 °C
Siedepunkt: 244.5 · 244.5±15.0 °C(Predicted)
Dichte: 1.059 · 1.059±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light, stored under nitrogen
pka: 9.44 · 9.44±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, 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 2 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.