5'-Amino-2'-methylacetanilid

2-Acetylamino-4-aminotoluene

HCID 79492CAS 5434-30-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(=O)Nc1cc(N)ccc1C
InChIKey: UAZGSMMESOKKQZ-UHFFFAOYSA-N
Summenformel: C9H12N2O
Durchschnittliche Molmasse: 164,2 g/mol
Monoisotopische Masse: 164,09496301

Namen und Bezeichner

Bevorzugter Name: 2-Acetylamino-4-aminotoluene
IUPAC: N-(5-amino-2-methylphenyl)acetamide
Lokaler Name: 5'-Amino-2'-methylacetanilid
Englischer Name: N1-(5-Amino-2-methylphenyl)acetamide
Summenformel: C9H12N2O
Molmasse: 164.2

Namen und Synonyme

N-(5-amino-2-methylphenyl)acetamide5434-30-02-Acetylamino-4-aminotolueneAcetamide, N-(5-amino-2-methylphenyl)-2-Acetylamino-p-toluidineWXF5Z5A955EINECS 226-599-0NSC 15762NSC-15762UNII-WXF5Z5A955DTXSID8063882RefChem:84990

Weitere Namen anzeigen

5-Amino-2-MethylacetanilideCompound Fr139653-Acetylamino-p-toluidineN-(5-Amino-2-methylphenyl)5-AMINO-2-METHYLACETANILINE2-METHYL-5-AMINOACETANILINE3'-Amino-6'-methylacetanilide

DTXCID0041690226-599-05'-Amino-2'-methylacetanilideN1-(5-AMINO-2-METHYLPHENYL)ACETAMIDEMFCD00047859N-(3-amino-6-methylphenyl)acetamideNSC157623-Acetamido-4-methylaniline

Datenbank-Bezeichner

CAS: 5434-30-0
PubChem CID: 79492
DTXSID: DTXSID8063882
UNII: WXF5Z5A955
EC Number: 226-599-0
Nikkaji: J153.405J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 170

Physikochemische Eigenschaften

Schmelzpunkt: 141 °C · 141 °C
Siedepunkt: 362.1 · 362.1±30.0 °C(Predicted)
Dichte: 1.163 · 1.163±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 14.83 · 14.83±0.70(Predicted)
Farbe: White to Light yellow
EPA chemische Informationen: Acetamide, N-(5-amino-2-methylphenyl)- (5434-30-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): 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]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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 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.