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N,N-Diisopropylaniline - 97%, high purity , CAS No.4107-98-6

COA

Grade & Purity:

≥97%

Cas Number: 4107-98-6
Molecular Weight: 177.29
PubChem CID: 61329

In stock

Item Number

I170225

Grouped product items
SKU	Size	Availability	Price
I170225-250mg	250mg	2	$11.90
I170225-1g	1g	2	$35.90
I170225-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$149.90

Basic Description

Synonyms	N,N-DIISOPROPYLANILINE \| n,n-diisopropyl-aniline \| S10663 \| Tox21_301373 \| J-523244 \| SY031997 \| Benzenamine, N,N-bis(1-methylethyl)- \| N,N-bis(propan-2-yl)aniline \| N,N-di(propan-2-yl)aniline \| N,N-DIISOPROPYLBENZENAMINE \| N,N-Diisopropylaniline, 97% \| A
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Aralkylamines
        Level6 Phenylalkylamines
        Level7 Phenylisopropylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Aralkylamines - Phenylalkylamines
Direct Parent	Phenylisopropylamines
Alternative Parents	Dialkylarylamines Aniline and substituted anilines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylisopropylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylisopropylamines. These are organic aromatic compounds containing a 1-phenylpropan-2-amine 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

Names and Identifiers

IUPAC Name	N,N-di(propan-2-yl)aniline
INCHI	InChI=1S/C12H19N/c1-10(2)13(11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey	OVSARSKQWCLSJT-UHFFFAOYSA-N
Smiles	CC(C)N(C1=CC=CC=C1)C(C)C
Isomeric SMILES	CC(C)N(C1=CC=CC=C1)C(C)C
WGK Germany	3
Molecular Weight	177.29
Reaxy-Rn	2358544
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2358544&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
F1821064	Certificate of Analysis	Jan 17, 2024	I170225

Chemical and Physical Properties

Flash Point(°F)	183.2 °F
Flash Point(°C)	84 °C
Molecular Weight	177.290 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	177.152 Da
Monoisotopic Mass	177.152 Da
Topological Polar Surface Area	3.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	126.000
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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