2-Propylanilin

2-Propylaniline

HCID 15759CAS 1821-39-2

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Grundinformationen

Standard-SMILES: CCCc1ccccc1N
InChIKey: WKURVXXDGMYSDP-UHFFFAOYSA-N
Summenformel: C9H13N
Durchschnittliche Molmasse: 135,21 g/mol
Monoisotopische Masse: 135,10479942

Namen und Bezeichner

Bevorzugter Name: 2-Propylaniline
IUPAC: 2-propylaniline
Lokaler Name: 2-Propylanilin
Englischer Name: 2-Propylaniline
Summenformel: C9H13N
Molmasse: 135.21

Namen und Synonyme

2-PropylanilineBenzenamine, 2-propyl-o-Propylaniline2-PROPYL-ANILINEANILINE, 2-PROPYL-2-Propylbenzenamineo-Aminopropylbenzene1-Amino-2-propylbenzeneAniline, o-propyl-EINECS 217-346-5UNII-KDP5MSE5C0BRN 0636589

Weitere Namen anzeigen

2-N-PROPYLANILINE2-propyl-anilino-propyl-anilin2-Propylaniline>2-propylbenzenamine2-propyl-benzenamin

WKURVXXDGMYSDP-UHFFFAOYSA-DTXSID401712484-12-00-02580 (Beilstein Handbook Reference)oPropylaniline2nPropylanilineAniline, opropyl2PropylbenzenamineAniline, 2propyl

Datenbank-Bezeichner

CAS: 1821-39-2
PubChem CID: 15759
DTXSID: DTXSID40171248
UNII: KDP5MSE5C0
EC Number: 217-346-5
Nikkaji: J55.231C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 90

Experimentelle und physikochemische Eigenschaften

Physical DescriptionYellow to brown liquid; [MSDSonline]

Kovats Retention Index · 2 Einträge

1299

1975

Physikochemische Eigenschaften

Schmelzpunkt: -6.87 °C · -6.87°C (estimate)
Siedepunkt: 222 · 222-224 °C (lit.)
Dichte: 0.96 g/mL · 0.96 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.547(lit.)
Flammpunkt: 208 °F · 208 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: clear liquid
pka: 4.06 · 4.06±0.10(Predicted)
Farbe: Colorless to Light yellow
InChI: 1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3
InChIKey: WKURVXXDGMYSDP-UHFFFAOYSA-N
SMILES: CCCc1ccccc1N
CAS Datenbank: 1821 · 1821-39-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzenamine, 2-propyl-(1821-39-2)

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 (97.6%): 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 41 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.