Basic information
- CAS
4627-22-9- Standard SMILES
CC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1- InChIKey
OPEKHRGERHDLRK-UHFFFAOYSA-N- Molecular formula
- C20H27N
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.21434987
Names & identifiers
- Preferred name
- 4,4'-Di-tert-butyldiphenylamine
- IUPAC
- 4-tert-butyl-N-(4-tert-butylphenyl)aniline
- English name
- 4,4'-Di-tert-butyldiphenylamine
- Molecular formula
- C20H27N
- Molecular weight
- 281.44
Names & synonyms
Bis(4-tert-butylphenyl)amine4,4'-Di-tert-butyldiphenylamineN,N-bis(4-tert-butylphenyl)amineBis(p-tert-butylphenyl)aminep,p'-di-tert-butyldiphenylamineUNII-S25750I14YDTXSID70332547S25750I14YBenzenamine, 4-(1,1-dimethylethyl)-N-[4-(1,1-dimethylethyl)phenyl]-Benzenamine, 4-(1,1-dimethylethyl)-N-(4-(1,1-dimethylethyl)phenyl)-N-NITROSO-4,4'-DI-TERT-BUTYLDIPHENYLAMINERefChem:198466
Show more names
Stearer STARp,p'-Di-tert-butyldipDi-4-tert-butylphenylamine-DI-TERT-BUTYLDIPHENYLAMINEBis(4-tert-butylphenyl)amine >
DTXCID102836404627-22-9Bis(4-(tert-butyl)phenyl)amine4-tert-butyl-N-(4-tert-butylphenyl)anilineMFCD004173914,4'-di-t-butyldiphenylaminebis-(4-tert-butyl-phenyl)-amineSY055185
Database identifiers
- CAS
4627-22-9- PubChem CID
- 458684
- DTXSID
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 108 °C · 108 °C
- Boiling point
- 195 °C · 195 °C / 3mmHg
- Density
- 0.974 · 0.974±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 1.47 · 1.47±0.40(Predicted)
- color
- Off-White to Pale Beige
- InChI
- InChI=1S/C20H27N/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h7-14,21H,1-6H3
- InChIKey
- OPEKHRGERHDLRK-UHFFFAOYSA-N
- SMILES
- C1(NC2=CC=C(C(C)(C)C)C=C2)=CC=C(C(C)(C)C)C=C1
- FDA UNII
- 25750 I14Y · S25750I14Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29214990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
UsesBis(4-tert-butylphenyl)amine could be a useful reagent for synthesizing efficient luminogens with AIE features that permit imaging the brain through an intact skull.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
2 records
Compound notes
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