4-(Pyrrolidin-1-yl)butanoic acid hydrochloride

HCID 14855682

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 49637-21-0
Standard-SMILES: Cl.O=C(O)CCCN1CCCC1
InChIKey: ZEWPJQOFVHRHKN-UHFFFAOYSA-N
Summenformel: C8H16ClNO2
Durchschnittliche Molmasse: 193,67 g/mol
Monoisotopische Masse: 193,08695643

Namen und Bezeichner

Bevorzugter Name: 4-(Pyrrolidin-1-yl)butanoic acid hydrochloride
IUPAC: 4-pyrrolidin-1-ylbutanoic acid;hydrochloride
Englischer Name: 4-PYRROLIDIN-1-YL-BUTYRIC ACID HYDROCHLORIDE
Summenformel: C8H16ClNO2
Molmasse: 193.67

Namen und Synonyme

4-(pyrrolidin-1-yl)butanoic acid hydrochlorideRefChem:516877837-769-449637-21-04-Pyrrolidin-1-yl-butyric acid hydrochloride4-pyrrolidin-1-ylbutanoic acid;hydrochlorideMFCD068012754-(1-Pyrrolidinyl)butanoic acid hydrochloride1-Pyrrolidinebutyric Acid HydrochlorideCHEMBL32343531-Pyrrolidinebutanoic acid, hydrochlorideSCHEMBL946654

Weitere Namen anzeigen

PYRROLIDIN-1-YLBUTANOIC ACID HYDROCHLORIDE

1-Pyrrolidinebutyric Acid HClDTXSID90564742Pyrrolidin-1-ylbutanoic acid HClTQP0305ZEWPJQOFVHRHKN-UHFFFAOYSA-NAKOS0169043144-(Pyrrolidin-1-yl)butanoic Acid HClBS-38166

Datenbank-Bezeichner

CAS: 49637-21-0
PubChem CID: 14855682
DTXSID: DTXSID90564742
ChEMBL: CHEMBL3234353
EC Number: 837-769-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 130

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

risk_code: 41
hazard_code: Xi
safety_code: 26-39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden1-Pyrrolidinebutyric Acid Hydrochloride is used in biological studies in the preparation of betaine analogs of mildronate as inhibitors of γ-butyrobetaine hydroxylase, and crystal structures of BBOX-inhibitor complexes.