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N,N-Diethyl-m-toluidine - >99.0%(GC)，for Biochemical Research, high purity , CAS No.91-67-8

COA

Grade & Purity:

≥99%(GC)
for Biochemical Research

Cas Number: 91-67-8
Molecular Weight: 163.26
Beilstein Registry Number: 12(4)1816
EC Number: 202-089-3
MDL number: MFCD00035795
PubChem CID: 66679

In stock

Item Number

D140169

Grouped product items
SKU	Size	Availability	Price	Qty
D140169-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
D140169-5g	5g	3	$76.90

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Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	3-Methyl-N,N-diethylbenzenamine \| meta-Methyl(diethylamino)benzene \| AKOS009031464 \| N,N-Diethyl-m-toluidine, >=99.0% (GC) \| Z104478590 \| m-Toluidine, N,N-diethyl- \| AI3-28462 \| 3-(Diethylamino)toluene \| D3868 \| DTXCID5031183 \| EINECS 202-089-3 \| SCHEMBL4
Specifications & Purity	≥99%(GC), for Biochemical Research
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Aminotoluenes
Alternative Parents	Dialkylarylamines Aniline and substituted anilines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Tertiary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
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-diethyl-3-methylaniline
INCHI	InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey	CIPVVROJHKLHJI-UHFFFAOYSA-N
Smiles	CCN(CC)C1=CC=CC(=C1)C
Isomeric SMILES	CCN(CC)C1=CC=CC(=C1)C
WGK Germany	2
RTECS	CX9869375
Molecular Weight	163.26
Beilstein	12(4)1816
Reaxy-Rn	878995
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878995&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
C2428003	Certificate of Analysis	Apr 07, 2024	D140169
C2428002	Certificate of Analysis	Apr 07, 2024	D140169

Chemical and Physical Properties

Refractive Index	1.54
Flash Point(°F)	212 °F
Flash Point(°C)	100 °C
Boil Point(°C)	107°C/11mmHg
Molecular Weight	163.260 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	163.136 Da
Monoisotopic Mass	163.136 Da
Topological Polar Surface Area	3.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	118.000
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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