4-Amino-α-methylbenzylalkohol

4-Amino-alpha-methylbenzenemethanol

HCID 85753CAS 14572-89-5

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Grundinformationen

Standard-SMILES: CC(O)c1ccc(N)cc1
InChIKey: JDEYBJHOTWGYFE-UHFFFAOYSA-N
Summenformel: C8H11NO
Durchschnittliche Molmasse: 137,18 g/mol
Monoisotopische Masse: 137,08406397

Namen und Bezeichner

Bevorzugter Name: 4-Amino-alpha-methylbenzenemethanol
IUPAC: 1-(4-aminophenyl)ethanol
Lokaler Name: 4-Amino-α-methylbenzylalkohol
Englischer Name: 1-(4-Aminophenyl)ethanol
Summenformel: C8H11NO
Molmasse: 137.18

Namen und Synonyme

14572-89-54-Amino-alpha-methylbenzyl alcohol4-Amino-alpha-methylbenzenemethanolRefChem:518034238-613-21-(4-Aminophenyl)ethanol4-(1-Hydroxyethyl)aniline4-aminophenyl ethanol1-(4-aminophenyl)ethan-1-olMFCD00014781Benzenemethanol, 4-amino-alpha-methyl-(R)-1-(4-Aminophenyl)ethan-1-ol

Weitere Namen anzeigen

1-(4-Aminophenyl)ethanolL1-(4-AMINOPHENYL)ETHANOL 98%P-AMINOPHENYLMETHYL CARBINOL4-(alpha-Hydroxyethyl)aniline(1R)-1-(4-aminophenyl)ethanol

(S)-1-(4-Aminophenyl)ethan-1-ol4-Amino-a-methyl-benzenemethanolEINECS 238-613-21-(p-aminophenyl)ethanol1-(4-aminophenyl)-ethanol4-Aminophenyl methylcarbinolSCHEMBL566671-(4-amino-phenyl)-ethanol

Datenbank-Bezeichner

CAS: 14572-89-5
PubChem CID: 85753
DTXSID: DTXSID70932682
EC Number: 238-613-2
Nikkaji: J141.593J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 97

Physikochemische Eigenschaften

Schmelzpunkt: 70 · 70-74 °C(lit.)
Siedepunkt: 289 ℃ · 289℃
Dichte: 1.117 · 1.117
Flammpunkt: 128 ℃ · 128℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: solid
pka: 14.89 · 14.89±0.20(Predicted)
BRN: 2828328 · 2828328
InChI: 1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3
InChIKey: JDEYBJHOTWGYFE-UHFFFAOYSA-N
SMILES: CC(O)c1ccc(N)cc1
CAS Datenbank: 14572 · 14572-89-5(CAS DataBase Reference)

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 40 reports by companies from 3 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.