Cyclobutylamin

Cyclobutylamine

HCID 75645CAS 2516-34-9

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Grundinformationen

Standard-SMILES: NC1CCC1
InChIKey: KZZKOVLJUKWSKX-UHFFFAOYSA-N
Summenformel: C4H9N
Durchschnittliche Molmasse: 71,12 g/mol
Monoisotopische Masse: 71,07349929

Namen und Bezeichner

Bevorzugter Name: Cyclobutylamine
IUPAC: cyclobutanamine
Lokaler Name: Cyclobutylamin
Englischer Name: Cyclobutylamine
Summenformel: C4H9N
Molmasse: 71.12

Namen und Synonyme

CyclobutylamineCyclobutanamine2516-34-9Aminocyclobutane1-AminocyclobutaneHFH6FE5D4YDTXSID00870982RefChem:1082441DTXCID10818658219-736-0cyclobutaneaminecyclobutyl amine

Weitere Namen anzeigen

obutyLAURORA KA-7608Ring-butylaMine1-CyclobutanamineCyclobutylaMine 98%Cyclobutylamine,98%Cyclobutane-1-amine

cyclobutylaminMFCD00001328EINECS 219-736-0Cyclobutylamine, 98%UNII-HFH6FE5D4YPS-9374CS-0006656Q31190376

Datenbank-Bezeichner

CAS: 2516-34-9、6291-01-6
PubChem CID: 75645
DTXSID: DTXSID00870982
UNII: HFH6FE5D4Y
EC Number: 219-736-0
Nikkaji: J80.508D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 30,6

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Schmelzpunkt: 133 · 133-135.5 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
Siedepunkt: 81.5 °C752 · 81.5 °C752 mm Hg(lit.)
Dichte: 0.833 g/mL · 0.833 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.437(lit.)
Flammpunkt: 24 °F · 24 °F
storage temp.: 2 · 2-8°C
pka: 10.8 · 10.80±0.20(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: slightly soluble
BRN: 2069297 · 2069297
InChI: 1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2
InChIKey: KZZKOVLJUKWSKX-UHFFFAOYSA-N
SMILES: NC1CCC1
CAS Datenbank: 2516 · 2516-34-9(CAS DataBase Reference)
NIST chemische Informationen: Cyclobutylamine(2516-34-9)

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, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, 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
ridadr: UN 2733 3/PG 2
hs_code: 29213000
risk_code: 11-34-20/21/22-36/37/38
hazard_code: F,C,Xi
safety_code: 16-26-36/37/39-45-33-7/9
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCyclobutylamine is a substrate employed in a microwave-assisted synthesis of 7-azaindoles from dihalopyridines. Also it is a reactant in the preparation of imidazo[1,2-b]pyridazine derivatives as selective and orally available Mps1 (TTK) kinase inhibitors.

Darstellung · 1 Eintrag

synthetischeThe preparation of cyclobutylamine from cyclobutanecarboxylic acid and hydrazoic acid has been reported previously. Cyclobutylamine has also been prepared by the Hofmann-type rearrangement of cyclobutanecarboxamide. More recently it has been prepared in 82–87% overall yield from cyclobutanecarboxamide by oxidative rearrangement with lead tetraacetate or iodosobenzene diacetate.Synthesis of cyclobutylamine