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2,5-Di-tert-butylaniline - 99%, high purity , CAS No.21860-03-7

COA

Grade & Purity:

≥99%

Cas Number: 21860-03-7
Molecular Weight: 205.33
MDL number: MFCD00010338
PubChem CID: 605488

In stock

Item Number

D474266

Grouped product items
SKU	Size	Availability	Price	Qty
D474266-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$651.90
D474266-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,356.90

Basic Description

Synonyms	AB-016/30007026 \| SCHEMBL297275 \| InChI=1/C14H23N/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9H,15H2,1-6H \| BS-22814 \| EN300-7422774 \| FT-0714127 \| 2,5-di-t-butylaniline \| AKOS015912883 \| D73939 \| 2,5-di-tert-Butylaniline \| 2,5-ditert-butylaniline \| Benze
Specifications & Purity	≥99%
Product Description	Description 2,5-Di-tert-butylaniline has been used in the preparation of:new rigid bidentate nitrogen ligands 1,2-bis[(2,5-di-tert-butylphenyl)imino]acenaphthene (dtb-BIAN)N-(2,5-di-tert-butylphenyl)perylene-3,4-dicarboximide

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylpropanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2,5-ditert-butylaniline
INCHI	InChI=1S/C14H23N/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9H,15H2,1-6H3
InChIKey	NUZVLYNISQOZOW-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)N
Isomeric SMILES	CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)N
Molecular Weight	205.33
Reaxy-Rn	2691916
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691916&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	205.340 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	205.183 Da
Monoisotopic Mass	205.183 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	206.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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