Isopentylamin

Isoamylamine

HCID 7894CAS 107-85-7

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Grundinformationen

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

Namen und Bezeichner

Bevorzugter Name: Isoamylamine
IUPAC: 3-methylbutan-1-amine
Lokaler Name: Isopentylamin
Englischer Name: Isoamylamine
Summenformel: C5H13N
Molmasse: 87.16

Namen und Synonyme

ISOAMYLAMINEIsopentylamine107-85-73-METHYLBUTAN-1-AMINE3-Methylbutylamine1-Amino-3-methylbutaneMonoisoamylamineLeucamineIsovalerylamine3-Methylbutanamine3-Methyl-1-butanamine1-Butanamine, 3-methyl-

Weitere Namen anzeigen

IAAFEMA 3219ISOAMYLAMINisobutyl isocyanide3-Methyl-1-butylamine

Monoisopentylaminegamma-IsoamylamineIsobutylcarbylamine3,3-DimethylpropylaminePropylamine, 3,3-dimethyl-FEMA No. 3219LPO0L33SHYNSC-7907

Datenbank-Bezeichner

CAS: 107-85-7
PubChem CID: 7894
DTXSID: DTXSID7059355
ChEMBL: CHEMBL42003
ChEBI: CHEBI:43689
UNII: LPO0L33SHY
EC Number: 203-526-0
Nikkaji: J95.661I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 25

Physikochemische Eigenschaften

Schmelzpunkt: -60 °C · -60 °C
Siedepunkt: 95 · 95-97 °C (lit.)
Dichte: 0.751 g/mL · 0.751 g/mL at 25 °C (lit.)
Dampfdruck: 48 hPa · 48hPa at 20℃
Brechungsindex: 20 · n20/D 1.408(lit.)
FEMA: 3219 · 3219 | ISOPENTYLAMINE
Flammpunkt: 65 °F · 65 °F
storage temp.: Flammables area
Wasserlöslichkeit: Completely miscible in water
Löslichkeit: Chloroform, Methanol (Slightly)
pka: 10.6 · 10.6(at 25℃)
Aggregatzustand: Liquid
Farbe: Clear colorless
Geruch (Odor): 0.1 % · at 0.10 % in propylene glycol. unpleasent ammonia
Geruchsart: ammoniacal
Biologische Quelle: synthetic
Merck: 14 · 14,5112
JECFA Number: 1587 · 1587
BRN: 1209230 · 1209230
Henry's Law Constant: 3.2 · 3.2×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
Stabilität: Volatile
InChI: 1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
InChIKey: BMFVGAAISNGQNM-UHFFFAOYSA-N
SMILES: CC(C)CCN
LogP: 0.139 at · 0.139 at 25℃
CAS Datenbank: 107 · 107-85-7(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Butanamine, 3-methyl- (107-85-7)

Sicherheit und Regulatorisches

Sicherheitsdaten

F: 34
wgk: 1
tsca: TSCA listed
ridadr: UN 1106 3/PG 2
hs_code: 29211999
risk_code: 11-22-34-20/22
hazard_code: F,C
safety_code: 16-26-36/37/39-45
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1BSTOT SE 3

Chemie und Industrie

Anwendungen · 3 Einträge

BeschreibungIsopentylamine has an unpleasant ammoniacal odor. May be synthesized from isoamyl chloride and sodamide in liquid ammonia; by reduction of isoamyl nitrile.

OccurrenceReported found in rye ergot and in many botanical sources (Rosaceae, Saxifragaceae, Umbelliferae, Caprifoliaceae); also commonly found among the degradation products of proteins. Reported found in apple, banana, grapes, kale, rutabaga, tomato, wheat bread, cheeses, caviar, cooked beef and pork, hop oil, sherry, beer, red and white wine, cocoa, coffee, rhubarb and truffle.

VerwendenIsoamylamine is used in organic syntheses.