alpha-(Aminomethyl)-4-methoxybenzyl alcohol

HCID 3016949

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Grundinformationen

CAS: 55275-61-1
Standard-SMILES: COc1ccc(C(O)CN)cc1
InChIKey: LQEPONWCAMNCOY-UHFFFAOYSA-N
Summenformel: C9H13NO2
Durchschnittliche Molmasse: 167,2 g/mol
Monoisotopische Masse: 167,09462866

Namen und Bezeichner

Bevorzugter Name: alpha-(Aminomethyl)-4-methoxybenzyl alcohol
IUPAC: 2-amino-1-(4-methoxyphenyl)ethanol
Englischer Name: alpha-(aminomethyl)-4-methoxybenzyl alcohol
Summenformel: C9H13NO2
Molmasse: 167.21

Namen und Synonyme

55275-61-1alpha-(Aminomethyl)-4-methoxybenzyl alcoholEINECS 259-561-7RefChem:555297259-561-72-amino-1-(4-methoxyphenyl)ethanol2-amino-1-(4-methoxyphenyl)ethan-1-olalpha-(Aminomethyl)-p-anisyl AlcoholMFCD03838266Benzenemethanol, alpha-(aminomethyl)-4-methoxy-Benzenemethanol, a-(aminomethyl)-4-methoxy-, (S)-SCHEMBL336019

Weitere Namen anzeigen

α-(Aminomethyl)-p-anisyl Alcohol2-Amino-1-(4-methoyphenyl)ethanolα-(aminomethyl)-4-methoxybenzyl alcoholα-(aminomethyl)-4-methoxybenzyl alcoholBenzenemethanol, a-(aminomethyl)-4-methoxy-BENZENEMETHANOL, α-(AMINOMETHYL)-4-METHOXY-

CHEMBL45568904-Methoxy-ss-hydroxyphenethylaminDTXSID90902584LQEPONWCAMNCOY-UHFFFAOYSA-NFCA27561SBB079743AKOS000123288AKOS016053310

Datenbank-Bezeichner

CAS: 55275-61-1
PubChem CID: 3016949
DTXSID: DTXSID90902584
ChEMBL: CHEMBL4556890
EC Number: 259-561-7
Nikkaji: J90.257H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 55,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 122

Physikochemische Eigenschaften

Schmelzpunkt: 70 ℃ · 70℃
Dichte: 1.128 · 1.128±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Store at Room Tem.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.