1-Ethylpropylamin

3-Pentanamine

HCID 12019CAS 616-24-0

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Grundinformationen

Standard-SMILES: CCC(N)CC
InChIKey: PQPFFKCJENSZKL-UHFFFAOYSA-N
Summenformel: C5H13N
Durchschnittliche Molmasse: 87,16 g/mol
Monoisotopische Masse: 87,10479942

Überblick

Pentan-3-amine is a primary aliphatic amine that is pentane substituted by an amino group at position 3. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of a pentane.

Namen und Bezeichner

Bevorzugter Name: 3-Pentanamine
IUPAC: pentan-3-amine
Lokaler Name: 1-Ethylpropylamin
Englischer Name: 3-Aminopentane
Summenformel: C5H13N
Molmasse: 87.16

Namen und Synonyme

3-AMINOPENTANE616-24-03-Pentanamine3-Pentylamine1-EthylpropylaminePropylamine, 1-ethyl-3N2IT605HVEINECS 210-471-6NSC 165575NSC-165575DTXSID8060662RefChem:504723

Weitere Namen anzeigen

3-PENTYLAMINE 98%3-Pentylamine,98%3-Aminopentane>A-ETHYLPROPYLAMINE3-AMINOPENTANE 98%

Propylamine, 1-ethyl-(8CI)DTXCID3043079pentan-3-amine1-Ethyl-propylamineMFCD00008096pent-3-ylamine3-AmylamineUNII-3N2IT605HV

Datenbank-Bezeichner

CAS: 616-24-0
PubChem CID: 12019
DTXSID: DTXSID8060662
ChEMBL: CHEMBL14178
ChEBI: CHEBI:84248
UNII: 3N2IT605HV
EC Number: 210-471-6
Nikkaji: J76K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 23,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDensity

Physikochemische Eigenschaften

Schmelzpunkt: -70 °C · -70°C (estimate)
Siedepunkt: 89 · 89-91 °C(lit.)
Dichte: 0.748 g/mL · 0.748 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4055(lit.)
Flammpunkt: 36 °F · 36 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 10.59 · 10.59(at 17℃)
Aggregatzustand: Liquid
Farbe: Clear colorless to faintly yellow
Wasserlöslichkeit: soluble
BRN: 635658 · 635658
InChI: 1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3
InChIKey: PQPFFKCJENSZKL-UHFFFAOYSA-N
SMILES: CCC(N)CC
CAS Datenbank: 616 · 616-24-0(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3-Pentanamine(616-24-0)
EPA chemische Informationen: 3 · 3-Pentanamine (616-24-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (98%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2733 3/PG 2
hs_code: 29211999
risk_code: 11-34-22
hazard_code: F,C
safety_code: 16-26-27-36/37/39-45
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information3-Pentanamine: ACTIVE

Anwendungen · 1 Eintrag

Verwenden1-Ethylpropylamine has been used:in the synthesis of (1-ethyl-propyl)-[3-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-1,4,8a-triaza-s-indacen-8-yl]-aminein the synthesis of monoclinic VPO4·H2Oas internal standard in the screening of aziridine and 2-chloroethylamine in active pharmaceutical ingredients by gas chromatography-mass spectrometry.