Piperidin-1-propylamin

Piperidine-1-propylamine

HCID 19049CAS 3529-08-6

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Grundinformationen

Standard-SMILES: NCCCN1CCCCC1
InChIKey: JMUCXULQKPWSTJ-UHFFFAOYSA-N
Summenformel: C8H18N2
Durchschnittliche Molmasse: 142,24 g/mol
Monoisotopische Masse: 142,14699858

Namen und Bezeichner

Bevorzugter Name: Piperidine-1-propylamine
IUPAC: 3-piperidin-1-ylpropan-1-amine
Lokaler Name: Piperidin-1-propylamin
Englischer Name: 1-(3-Aminopropyl)piperidine
Summenformel: C8H18N2
Molmasse: 142.24

Namen und Synonyme

3529-08-61-PiperidinepropanaminePiperidine-1-propylamine1-PIPERIDINEPROPANEDIAMINEDTXSID20188778EINECS 222-557-0RefChem:863575DTXCID80111269222-557-03-(piperidin-1-yl)propan-1-amine1-(3-aminopropyl)piperidine3-PIPERIDINOPROPYLAMINE

Weitere Namen anzeigen

AKOS MSC-03923-(Piperidin-1-yl)TIMTEC-BB SBB010073RARECHEM AL BW 0252Piperidinopropylamine3-PiperidinepropylamineASINEX-REAG BAS 12433284

3-Piperidin-1-yl-propylamine3-piperidin-1-ylpropan-1-amineMFCD000237843-(Piperidin-1-yl)propylamineN-(3-aminopropyl)piperidine1-piperidinepropylamine1-piperidinepropaneamine3-piperidine-1-yl-propylamine

Datenbank-Bezeichner

CAS: 3529-08-6
PubChem CID: 19049
DTXSID: DTXSID20188778
ChEMBL: CHEMBL161741
EC Number: 222-557-0
Nikkaji: J216.176A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 77,3

Physikochemische Eigenschaften

Siedepunkt: 84 · 84-86°C 15mm
Dichte: 0.895 · 0.895
Brechungsindex: 1.476 · 1.476
Flammpunkt: 82 · 82 ºC
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 10.44 · 10.44±0.10(Predicted)
Aggregatzustand: solid
Farbe: Colourless to light yellow
InChI: 1S/C8H18N2/c9-5-4-8-10-6-2-1-3-7-10/h1-9H2
InChIKey: JMUCXULQKPWSTJ-UHFFFAOYSA-N
SMILES: NCCCN1CCCCC1
CAS Datenbank: 3529 · 3529-08-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 69 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 2735
hs_code: 2933399990
risk_code: 10-34-22
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for synthesis of:A chemotype that inhibits Botulinum neurotoxin serotype A light chain, P. falciparum Malaria, and Ebola filovirusMembrane targeting antibiotics5-HT3A receptor antagonistsHistamine H3 antagonistsBerberine derivatives for stabilization of G-quadruplex DNA and down regulation of oncogene c-mycReactant for incorporation of basic side chains into cryptolepine scaffold for antimalarial activity