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3,4,5-Trimethylaniline - 98%, high purity , CAS No.1639-31-2

COA

Grade & Purity:

≥98%

Cas Number: 1639-31-2
Molecular Weight: 135.21
PubChem CID: 74227

In stock

Item Number

T305100

Grouped product items
SKU	Size	Availability	Price	Qty
T305100-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
T305100-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90

Basic Description

Synonyms	3,4,5-Trimethylaniline \| 1639-31-2 \| Benzenamine, 3,4,5-trimethyl- \| 3,4,5-Trimethylbenzenamine \| MFCD00130022 \| NSC-403297 \| 3,4,5-trimethylbenzeneamine \| nsc 403297 \| EINECS 216-679-3 \| NSC403297 \| 3.4.5-Trimethylanilin \| EH8A4NC8F3 \| 3,4,5-Trimethyl-benzenamine \| Aniline, 3,4,5
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Aniline and substituted anilines
Alternative Parents	Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	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 aniline and substituted anilines. These are organic compounds containing an aminobenzene 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	3,4,5-trimethylaniline
INCHI	InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3
InChIKey	BXCUMAUHMPSRPZ-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1C)C)N
Isomeric SMILES	CC1=CC(=CC(=C1C)C)N
PubChem CID	74227
Molecular Weight	135.21

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	246.9°C
Melt Point(°C)	79-80°C
Molecular Weight	135.210 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	135.105 Da
Monoisotopic Mass	135.105 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.300
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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