CAS 2391-56-2 1,5-Bis(p-aminophenoxy)pentane (HCID 14173)

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Basic information

CAS: 2391-56-2
Standard SMILES: Nc1ccc(OCCCCCOc2ccc(N)cc2)cc1
InChIKey: SLHXQWDUYXSTPA-UHFFFAOYSA-N
Molecular formula: C17H22N2O2
Average molar mass: 286.37 g/mol
Monoisotopic mass: 286.16812794

Overview

retinotoxic drug; RN given refers to parent cpd; structure

Names & identifiers

Preferred name: 1,5-Bis(p-aminophenoxy)pentane
IUPAC: 4-[5-(4-aminophenoxy)pentoxy]aniline
English name: 1,5-Bis(4-aminophenoxy)pentane
Molecular formula: C17H22N2O2
Molecular weight: 286.37

Names & synonyms

2391-56-21,5-Bis(p-aminophenoxy)pentane1,5-Di(p-aminophenoxy)pentaneDTXSID701786244,4'-(1,5-Pentanediylbis(oxy))bisbenzenamineRefChem:73439DTXCID301011151,5-BIS(4-AMINOPHENOXY)PENTANE4,4'-(pentane-1,5-diylbis(oxy))dianiline4-[5-(4-aminophenoxy)pentoxy]aniline1092-82-6MFCD01632139

Show more names

DA5MG4,4'-(1,5-Pentanediyl)dioxydianiline4,4''-(1,5-PENTANEDIYL)DIOXYDIANILINE ,98%4-{[5-(4-aminophenoxy)pentyl]oxy}phenylamine4,4'-[1,5-Pentanediylbis(oxy)] bisbenzenamine

4,4'-[Pentane-1,5-diylbis(oxy)]dianilineBenzenamine, 4,4'-[1,5-pentanediylbis(oxy)]bis-, dihydrochlorideDAPP, AcucelaBenzenamine, 4,4'-[1,5-pentanediylbis(oxy)]bis-SCHEMBL562258AKOS024348895SB822811,5-Bis(4-amino-benzene-1-oxy)pentane

Database identifiers

CAS: 2391-56-2
PubChem CID: 14173

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 70.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 234

Physicochemical properties

storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Symbol(GHS): 7 · GHS07
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36/37/39-45

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.