Octahydrocyclopenta[c]pyrrol

Gliclazide Impurity 13 · 3-Azabicyclo[3.3.0]octane · 1,3-Azabicyclo[3.3.0]octane · Cyclopenta[c]pyrrole,octahydro- · octahydrocyclopenta[c]pyrrole HCL · Cis-Octahydro-cyclopenta(c)pyrrole · N-Amino-3-azabicyclo[3.3.0]hydrochloride · Octahydro-cyclopenta[c]pyrrole (HCl salt form)

https://huagongshe.com/de/chemical/110688

Molekülstruktur von Octahydrocyclopenta[c]pyrrol

Identifikatoren & physikalische Daten

CAS No.	5661-03-0
Summenformel	C7H13N
Durchschnittliche Molmasse	111,18 g/mol
Monoisotopische Masse	111,10479942 g/mol
SMILES	C1CC2CNCC2C1
InChIKey	UZHVXJZEHGSWQV-UHFFFAOYSA-N
PubChem CID	110688
EC No.	227-114-5
DTXSID	DTXSID30972049
Lokaler Name	Octahydrocyclopenta[c]pyrrol

Chemische & physikalische Eigenschaften

XLogP	1,1
Polarare Oberfläche (TPSA)	12
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	8
Formalladung	0
Komplexität	80,4
Siedepunkt	165.0±8.0 °C(Predicted)
Dichte	0.934±0.06 g/cm3(Predicted)
Dampfdruck	8.1hPa at 20℃
Lagerbedingungen	2-8°C(protect from light)
pKa (Säurekonstante)	11.53±0.20(Predicted)
Aggregatzustand	solid
Löslichkeit	1000g/L at 20℃
InChI	1S/C7H13N/c1-2-6-4-8-5-7(6)3-1/h6-8H,1-5H2
InChIKey	UZHVXJZEHGSWQV-UHFFFAOYSA-N
SMILES	C1CC2CNCC2C1

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Active Update: 06-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7635
Hazard Classes and Categories	Acute Tox. 4 (50%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	2933998090
Lagerklasse	11 - Combustible Solids