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3,4'-Diaminodiphenyl Ether

CAT: 0572-TRC-D416410-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D416410-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2657-87-6
Synonyms
3-(4-aminophenoxy)benzenamine; 3,4'-DAPE; 3,4'-DPE; 3,4'-Oxydianiline; 3,4'-Oxydiphenylamine; 3-Amino-4'-aminodiphenyl ether; 3-Aminophenyl 4-aminophenyl ether; 4,3'-Diaminodiphenyl oxide; CLP 5050;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Nc1ccc(Oc2cccc(N)c2)cc1
Molecular Formula
C12H12N2O
Molecular Weight
200.24
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

3-(4-Aminophenoxy)aniline
CAS Number2657-87-6
PubChem CID75871
IUPAC Name3-(4-aminophenoxy)aniline
Molecular FormulaC12H12N2O
Molecular Weight200.24
XLogP2.2
Topological Polar Surface Area61.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity190
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)N
InChI
InChI=1S/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H2
InChIKey
ZBMISJGHVWNWTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Aminophenoxy)aniline
CAS: 2657-87-6
CID: 75871
Formula: C12H12N2O
MW: 200.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.24
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass200.094963011
Monoisotopic Mass200.094963011
Topological Polar Surface Area61.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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