4-(Hexahydro-1H-azepin-1-yl)anilin

Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-

HCID 93643CAS 57356-18-0

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Grundinformationen

Standard-SMILES: Nc1ccc(N2CCCCCC2)cc1
InChIKey: RDUONPQXZRHVKQ-UHFFFAOYSA-N
Summenformel: C12H18N2
Durchschnittliche Molmasse: 190,28 g/mol
Monoisotopische Masse: 190,14699858

Namen und Bezeichner

Bevorzugter Name: Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-
IUPAC: 4-(azepan-1-yl)aniline
Lokaler Name: 4-(Hexahydro-1H-azepin-1-yl)anilin
Englischer Name: 4-(hexahydro-1H-azepin-1-yl)aniline
Summenformel: C12H18N2
Molmasse: 190.28

Namen und Synonyme

57356-18-0Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-4-(Hexahydro-1H-azepin-1-yl)anilineN-(4'-Aminophenyl)hexamethylenimineEINECS 260-692-7DTXSID0069177RefChem:561862DTXCID9042203260-692-74-(azepan-1-yl)aniline4-(1-Azepanyl)aniline(4-azepan-1-ylphenyl)amine

Weitere Namen anzeigen

1-(4-Aminophenyl)azepane4-(Azepan-1-yl)aniline95%4-Azepan-1-ylaniline, HCl4-(Azepan-1-yl)aniline 95%Benzenamine,4-(hexahydro-1H-azepin-1-yl)-4-[(Hexahydro-1H-azepin)-1-yl]benzenamine(4-azepan-1-ylphenyl)amine(SALTDATA: 2HCl)1-(4-Aminophenyl)azepane, 1-(4-Aminophenyl)hexahydro-1H-azepine, 1-(4-Aminophenyl)homopiperidine

MFCD015364534-Azepan-1-yl-phenylamine4-azaperhydroepinylphenylamineMLS000068952SMR0000108374-azepanylaniline4-azepan-1-ylanilineOprea1_115278

Datenbank-Bezeichner

CAS: 57356-18-0
PubChem CID: 93643
DTXSID: DTXSID0069177
ChEMBL: CHEMBL1198356
EC Number: 260-692-7
Nikkaji: J349.141B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 154

Physikochemische Eigenschaften

Siedepunkt: 359.6 · 359.6±25.0 °C(Predicted)
Dichte: 1.047 · 1.047±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, protect from light
pka: 7.8 · 7.80±0.40(Predicted)
EPA chemische Informationen: 4 · Benzenamine, 4-(hexahydro-1H-azepin-1-yl)- (57356-18-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

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]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.