4-(Dimethylamino)butyric acid hydrochloride

HCID 12691640

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 69954-66-1
Standard-SMILES: CN(C)CCCC(=O)O.Cl
InChIKey: RDTALXUBMCLWBB-UHFFFAOYSA-N
Summenformel: C6H14ClNO2
Durchschnittliche Molmasse: 167,63 g/mol
Monoisotopische Masse: 167,07130637

Namen und Bezeichner

Bevorzugter Name: 4-(Dimethylamino)butyric acid hydrochloride
IUPAC: 4-(dimethylamino)butanoic acid;hydrochloride
Englischer Name: 4-Dimethylaminobutyric acid hydrochloride
Summenformel: C6H14ClNO2
Molmasse: 167.63

Namen und Synonyme

4-(Dimethylamino)butyric acid hydrochlorideRefChem:515978629-379-669954-66-14-(dimethylamino)butanoic acid hydrochloride4-Dimethylaminobutyric Acid HydrochlorideMFCD000126134-(dimethylamino)butanoic acid;hydrochloride4-(Dimethylamino)-butanoic acid HClNSC165617NSC-1656174-dimethylamino-butyric acid hydrochloride

Weitere Namen anzeigen

4-(dimethylamino)butanoic acidSKL678Neratinib Impurity 51LABOTEST-BB LT011483294-DimethylaminobutyricacidHCl4-Dimethylaminobbbutyric Acid Hydrochloride4-(Dimethylamino)butyric acid hydrochloride 98%

4-(dimethylamino) butyric acid hydrochloride4-dimethylamino-butyric acid hydrochloride salt4-Dimethylaminobutyric acid HCl4-(DimethylamButanoic acid, 4-(dimethylamino)-, hydrochlorideFT-0641262SCHEMBL246147orb3021438

Datenbank-Bezeichner

CAS: 69954-66-1
PubChem CID: 12691640
DTXSID: DTXSID50507054
EC Number: 629-379-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 10
Formalladung: 0
Komplexität: 91,1

Physikochemische Eigenschaften

Schmelzpunkt: 153 · 153-155 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Major Application: peptide synthesis
InChI: InChI=1S/C6H13NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H
InChIKey: RDTALXUBMCLWBB-UHFFFAOYSA-N
SMILES: C(=O)(O)CCCN(C)C.Cl
CAS Datenbank: 69954 · 69954-66-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.