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Structure

2,2-Bis(4-aminophenyl)hexafluoropropane

CAS
1095-78-9
Catalog Number
ACM-MO-1095789
Category
Polymer/Macromolecule; Amide & Amine Monomers
Molecular Weight
334.27 g/mol
Molecular Formula
C15H12F6N2

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Specification

Synonyms
4,4'-(Hexafluoroisopropylidene)dianiline;
BIS-A-AF
IUPAC Name
4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline
Canonical SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8H,22-23H2
InChI Key
BEKFRNOZJSYWKZ-UHFFFAOYSA-N
Melting Point
198 °C
Solubility
Slightly soluble in water.Soluble in methanol
Appearance
White to Light Yellow to Light Orange Powder to Crystal
Complexity
352
Condition To Avoid
Air Sensitive
Covalently-Bonded Unit Count
1
Exact Mass
334.090467g/mol
Formal Charge
0
H-Bond Acceptor
8
H-Bond Donor
2
Heavy Atom Count
23
Monoisotopic Mass
334.090467g/mol
Physical State
Solid
Rotatable Bond Count
2
XLogP3
4.5
What is the molecular formula of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The molecular formula is C15H12F6N2.

What is the molecular weight of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The molecular weight is 334.26 g/mol.

What is the IUPAC name of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The IUPAC name is 4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline.

What is the InChI of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The InChI is InChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8H,22-23H2.

What is the InChIKey of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The InChIKey is BEKFRNOZJSYWKZ-UHFFFAOYSA-N.

What is the canonical SMILES representation of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The canonical SMILES representation is C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C(F)(F)F)C(F)(F)F)N.

What is the CAS number of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The CAS number is 1095-78-9.

What is the ChEMBL ID of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The ChEMBL ID is CHEMBL2392774.

What is the DSSTox Substance ID of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The DSSTox Substance ID is DTXSID60883250.

Does 2,2-Bis(4-aminophenyl)hexafluoropropane have a defined bond stereocenter count?

No, it does not have a defined bond stereocenter count.

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