2-(Pyrrolidin-1-yl)acetic acid hydrochloride

HCID 13022016CAS 6628-74-6

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Grundinformationen

Standard-SMILES: Cl.O=C(O)CN1CCCC1
InChIKey: HIGULTVOVROJID-UHFFFAOYSA-N
Summenformel: C6H12ClNO2
Durchschnittliche Molmasse: 165,62 g/mol
Monoisotopische Masse: 165,0556563

Namen und Bezeichner

Bevorzugter Name: 2-(Pyrrolidin-1-yl)acetic acid hydrochloride
IUPAC: 2-pyrrolidin-1-ylacetic acid;hydrochloride
Englischer Name: 2-pyrrolidin-1-ylacetic acid
Summenformel: C6H12ClNO2
Molmasse: 165.62

Namen und Synonyme

2-(Pyrrolidin-1-Yl)Acetic Acid HydrochlorideRefChem:462186811-498-16628-74-6Pyrrolidin-1-yl-acetic acid hydrochloridepyrrolidin-1-ylacetic acid hydrochloride(pyrrolidin-1-yl)acetic acid hydrochloride2-pyrrolidin-1-ylacetic acidMFCD068012742-pyrrolidin-1-ylacetic acid;hydrochlorideNSC108221NSC-108221

Weitere Namen anzeigen

2-(Pyrrolidin-1-yl)Eravacycline intermediate E1-Pyrrolidineacetic acid(HCl)Pyrrolidin-1-yl-acetic acid, HClCinepazide Impurity 20 Hydrochloride2- (1-pyrrolidinyl) acetic acid (HCl)(4,5-diphenyl-1,3-oxazol-2-yl)hydrazineEravacycline Impurity 22(Hydrochloride)

EN300-41375F21166Pyrrolidin-1-yl-acetic acid hydrochloride, AldrichCPR1-Pyrrolidineacetic acid, hydrochloride2-(pyrrolidin-1-yl)acetic acid HCl2-(pyrrolidin-1-yl)aceticacidhydrochlorideSCHEMBL1375922DTXSID40515421

Datenbank-Bezeichner

CAS: 6628-74-6
PubChem CID: 13022016
DTXSID: DTXSID40515421
EC Number: 811-498-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 108

Physikochemische Eigenschaften

storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
InChI: InChI=1S/C6H11NO2.ClH/c8-6(9)5-7-3-1-2-4-7;/h1-5H2,(H,8,9);1H
InChIKey: HIGULTVOVROJID-UHFFFAOYSA-N
SMILES: C(N1CCCC1)C(=O)O.Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.