4-(2-(Pyrrolidin-1-yl)ethyl)aniline

HCID 6487047CAS 168897-20-9

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Grundinformationen

Standard-SMILES: Nc1ccc(CCN2CCCC2)cc1
InChIKey: WAOKZNBDXFOXSA-UHFFFAOYSA-N
Summenformel: C12H18N2
Durchschnittliche Molmasse: 190,28 g/mol
Monoisotopische Masse: 190,14699858

Namen und Bezeichner

Bevorzugter Name: 4-(2-(Pyrrolidin-1-yl)ethyl)aniline
IUPAC: 4-(2-pyrrolidin-1-ylethyl)aniline
Englischer Name: 4-(2-Pyrrolidin-1-yl-ethyl)-aniline
Summenformel: C12H18N2
Molmasse: 190.28

Namen und Synonyme

168897-20-94-(2-(Pyrrolidin-1-yl)ethyl)aniline4-[2-(pyrrolidin-1-yl)ethyl]anilineDTXSID80424583RefChem:287051DTXCID50375417971-162-64-(2-pyrrolidin-1-ylethyl)aniline4-(2-PYRROLIDIN-1-YL-ETHYL)-ANILINE4-(2-Pyrrolidin-1-yl-ethyl)-phenylamineMFCD041145074-[2-(1-PYRROLIDINYL)ETHYL]ANILINE

Weitere Namen anzeigen

TIMTEC-BB SBB010841ASINEX-REAG BAS 06706100Benzenamine, 4-[2-(1-pyrrolidinyl)ethyl]-4-[2-(1-pyrrolidinyl)ethyl]aniline(SALTDATA: 2HCl)4-[2-(1-pyrrolidinyl)ethyl]aniline dihydrochloride

4-(2-pyrrolidinylethyl)phenylamineSCHEMBL1877934CHEMBL1624672WAOKZNBDXFOXSA-UHFFFAOYSA-N4-(2-pyrrolidin-1ylethyl) anilineTGA89720SBB010841STL259668

Datenbank-Bezeichner

CAS: 168897-20-9
PubChem CID: 6487047
DTXSID: DTXSID80424583
ChEMBL: CHEMBL1624672
EC Number: 971-162-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 156

Physikochemische Eigenschaften

Siedepunkt: 314.9 · 314.9±17.0 °C(Predicted)
Dichte: 1.055 · 1.055±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 10.43 · 10.43±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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