N-Propylanilin

Benzenamine, N-propyl-

HCID 12153CAS 622-80-0

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Grundinformationen

Standard-SMILES: CCCNc1ccccc1
InChIKey: CDZOGLJOFWFVOZ-UHFFFAOYSA-N
Summenformel: C9H13N
Durchschnittliche Molmasse: 135,21 g/mol
Monoisotopische Masse: 135,10479942

Namen und Bezeichner

Bevorzugter Name: Benzenamine, N-propyl-
IUPAC: N-propylaniline
Lokaler Name: N-Propylanilin
Englischer Name: N-Propylaniline
Summenformel: C9H13N
Molmasse: 135.21

Namen und Synonyme

N-PROPYLANILINE622-80-0Benzenamine, N-propyl-PropylanilineEINECS 210-754-4AI3-08884DTXSID2060759RefChem:562005DTXCID4043274210-754-4Aniline, N-propyl-Aniline, N-n-propyl-

Weitere Namen anzeigen

SKL121N-Propylaniline>N-PropylbenzenamineN-Phenylpropylaminen-propyl-benzenaminPHENYL-PROPYL-AMINE

MFCD00048678phenyl(propyl)amineN-n-PropylanilineN-PropylbenzenamineN-propyl anilineN-propyl-anilineN-(n-Propyl)anilineKXB76C7PER

Datenbank-Bezeichner

CAS: 622-80-0
PubChem CID: 12153
DTXSID: DTXSID2060759
UNII: KXB76C7PER
EC Number: 210-754-4
Nikkaji: J1.221A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 74,8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDiamagnetic susceptibility

LogP2.45

Physikochemische Eigenschaften

Schmelzpunkt: -6.87 °C · -6.87°C (estimate)
Siedepunkt: 220 °C · 220°C
Dichte: 0 · 0,95 g/cm3
Brechungsindex: 1.541 to · 1.5410 to 1.5440
Flammpunkt: 91 °C · 91°C
storage temp.: 2 · 2-8°C, protect from light
pka: 5.04 · 5.04±0.20(Predicted)
Aggregatzustand: clear liquid
Wichte: 0.942 · 0.942~0.949 (20/4℃)
Farbe: White to Yellow to Green
CAS Datenbank: 622 · 622-80-0(CAS DataBase Reference)
NIST chemische Informationen: N-Propylaniline(622-80-0)
EPA chemische Informationen: Benzenamine, N-propyl- (622-80-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2921490090
risk_code: 20/21/22-36/37/38
safety_code: 26-36/37/39

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, N-propyl-: INACTIVE

Darstellung · 1 Eintrag

synthetischeN-propylaniline was efficiently synthesized in a vapor phase from aniline and 1-propanol at atmospheric pressure over the Cu/SiO2 catalyst that was prepared by the incipient wetness method and temperature-programmed calcination. The catalyst exhibited very high activity and selectivity. At the reaction temperature of 260°C, 1-propanol conversion reached 100%, and the selectivity for N-propylaniline exceeded 92%. The results of X-ray diffraction showed that the Cu/SiO2 catalyst with high catalytic activity and selectivity had good crystallinity of copper.https://doi.org/10.1016/S1872-2067(07)60027-8