CAS 101-96-2|N,N'-1,4-bis(sec-BUTYLAMINO)BENZENE|1-N,4-N-bis(butan-2-yl)benzene-1,4-diamine|1-N,4-N-bis(sec-butyl)benzene-1,4-diamine|N,N′-di-sec-butyl-1,4-phenylenediamin...

General Information

Structure

Molecular Formula

C₁₄H₂₄N₂

Molecular Mass

220.35376

Exact Mass

220.19394878

Charge

InChI

InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3

InChIKey

FSWDLYNGJBGFJH-UHFFFAOYSA-N

Canonic Smiles

CCC(Nc1ccc(cc1)NC(CC)C)C

Isomeric Smiles

CCC(C)Nc1ccc(NC(C)CC)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.9089836

LogD (pH = 7.4)

3.3285077

Log P

3.5106127

Molar Refractivity

73.8284

Polarizability

27.381989

Polar Surface Area

24.06

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

N,N'-1,4-bis(sec-BUTYLAMINO)BENZENEN,N′-di-sec-butyl-1,4-phenylenediamineN,N'-Di-2-butyl-1,4-phenylenediamineN,N'-bis(1-methylpropyl)-1,4-benzenediamineN,N′-Di-sec-butyl-p-phenylenediamineN,N′-二仲丁基对苯二胺N1,N4-Di-sec-butylbenzene-1,4-diamine

IUPAC name

1-N,4-N-bis(butan-2-yl)benzene-1,4-diamine

IUPAC Traditional name

1-N,4-N-bis(sec-butyl)benzene-1,4-diamine

Names and Identifiers

Registration numbers

CAS Number

101-96-2

Wikipedia Title

N,N'-Di-2-butyl-1,4-phenylenediamine

EC Number

MDL Number

Beilstein Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

Physical Property

Flash Point

212 °F

100 °C

Density

0.942 g/mL at 20 °C(lit.)

Refractive Index

n20/D 1.539

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Wikipedia

N,N'-Di-2-butyl-1,4-phenylenediamine

Sigma Aldrich

90502

Other Notes
This former Fluka product is now being offered as Aldrich brand product. During the transition, you still may receive the Fluka product. The rebranding has no impact on product performance or quality. Printing link to product rebranding statement
Packaging
10, 50 mL in glass bottle

MP Biomedicals

05202276

MP Biomedicals Rare Chemical collection

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity