4-(Dimethylamino)butan-1-ol

HCID 83350CAS 13330-96-6

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Grundinformationen

Standard-SMILES: CN(C)CCCCO
InChIKey: QCTOLMMTYSGTDA-UHFFFAOYSA-N
Summenformel: C6H15NO
Durchschnittliche Molmasse: 117,19 g/mol
Monoisotopische Masse: 117,1153641

Namen und Bezeichner

Bevorzugter Name: 4-(Dimethylamino)butan-1-ol
IUPAC: 4-(dimethylamino)butan-1-ol
Lokaler Name: 4-(Dimethylamino)butan-1-ol
Englischer Name: 4-Dimethylamino-1-butanol
Summenformel: C6H15NO
Molmasse: 117.19

Namen und Synonyme

4-(Dimethylamino)butan-1-olEINECS 236-380-1DTXSID20158052NSC 165645RefChem:515970DTXCID4080543236-380-113330-96-64-Dimethylamino-1-butanol4-(Dimethylamino)-1-butanol1-Butanol, 4-(dimethylamino)-4-Dimethylaminobutan-1-ol

Weitere Namen anzeigen

dimethylaminobutanol4-DIMETHYLAMINO BUTANOL-14-DIMETHYLAMINO-1-BUTANOL 98%4-Dimethylamino-1-butanol >4-DIMETHYLAMINO-1-BUTANOL USP/EP/BP

MFCD00020624SCHEMBL94134-(N,N-dimethylamino)butanol4-(N,N-dimethylamino]butan-1-olCS-W022016D1659O11091EN300-1852954

Datenbank-Bezeichner

CAS: 13330-96-6
PubChem CID: 83350
DTXSID: DTXSID20158052
EC Number: 236-380-1
Nikkaji: J208.391D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 8
Formalladung: 0
Komplexität: 45

Physikochemische Eigenschaften

Siedepunkt: 188 °C · 188°C
Dichte: 0 · 0,88 g/cm3
Brechungsindex: 1.439 · 1.4390-1.4420
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: 15.13 · 15.13±0.10(Predicted)
Farbe: Colorless to Almost colorless
InChI: InChI=1S/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3
InChIKey: QCTOLMMTYSGTDA-UHFFFAOYSA-N
SMILES: C(O)CCCN(C)C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.