3-3-Diphenylpropylamin

3,3-Diphenylpropylamine

HCID 79698CAS 5586-73-2

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Grundinformationen

Standard-SMILES: NCCC(c1ccccc1)c1ccccc1
InChIKey: KISZTEOELCMZPY-UHFFFAOYSA-N
Summenformel: C15H17N
Durchschnittliche Molmasse: 211,3 g/mol
Monoisotopische Masse: 211,13609954

Überblick

has antiextensor effect & worsens clonic seizure produced by pentylenetetrazole; RN given refers to parent cpd

Namen und Bezeichner

Bevorzugter Name: 3,3-Diphenylpropylamine
IUPAC: 3,3-diphenylpropan-1-amine
Lokaler Name: 3-3-Diphenylpropylamin
Englischer Name: 3,3-Diphenylpropylamine
Summenformel: C15H17N
Molmasse: 211.3

Namen und Synonyme

3,3-Diphenylpropylamine5586-73-23-3-DiphenylpropylamineC31E561S64NSC-137832J56.243BDTXSID30204458IEM-2011RefChem:485623DTXCID30126949226-984-33,3-diphenylpropan-1-amine

Weitere Namen anzeigen

3,3-diphenylpropylammoniumIEM 2011TIMTEC-BB SBB000517RARECHEM AL BW 0746DiphenylpropylaMineLABOTEST-BB LT000530923-diphenylpropyl amine3,3-diPHENYLPROPOLAMINE

Propylamine, 3,3-diphenyl-Benzenepropanamine, .gamma.-phenyl-MFCD00008202UNII-C31E561S64EINECS 226-984-3NSC137832NSC 1378323.3-diphenylpropylamine

Datenbank-Bezeichner

CAS: 5586-73-2
PubChem CID: 79698
DTXSID: DTXSID30204458
ChEMBL: CHEMBL609579
UNII: C31E561S64
EC Number: 226-984-3
Nikkaji: J56.243B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 29 · 29-31 °C (lit.)
Siedepunkt: 166 °C · 166°C 2mm
Dichte: 1.0382 · 1.0382 (rough estimate)
Brechungsindex: 20 · n20/D 1.583(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Room Temperature, Under Inert Atmosphere
Löslichkeit: DMSO (Slghtly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 9.91 · 9.91±0.13(Predicted)
Farbe: Yellow to Light Brown
BRN: 1958595 · 1958595
InChI: 1S/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
InChIKey: KISZTEOELCMZPY-UHFFFAOYSA-N
SMILES: NCCC(c1ccccc1)c2ccccc2
CAS Datenbank: 5586 · 5586-73-2(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3,3-Diphenylpropylamine(5586-73-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 4.1% (2 of 49) of reports.

Warning

H315 (95.9%): Causes skin irritation [Warning Skin corrosion/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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 10-01-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7422

Hazard Classes and CategoriesSkin Irrit. 2 (95.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29214990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3,3-Diphenylpropylamine is a metabolite of Prenylamine (P712800). 3,3-Diphenylpropylamine showed antiextensor effects as well as neuroexcitatory effects and antagonized barbital-induced loss of the righting reflex.