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N-n-Butyl-N-Benzyl-m-Toluidine - ≥98%, high purity , CAS No.187101-94-6

COA

Grade & Purity:

≥98%

Cas Number: 187101-94-6
Molecular Weight: 253.4
PubChem CID: 15404537

In stock

Item Number

N770245

Grouped product items
SKU	Size	Availability	Price	Qty
N770245-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
N770245-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylbenzamines
Alternative Parents	Dialkylarylamines Benzylamines Aniline and substituted anilines Aminotoluenes Aralkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylbenzamine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzylamine - Aralkylamine - Toluene - Tertiary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
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-benzyl-N-butyl-3-methylaniline
INCHI	InChI=1S/C18H23N/c1-3-4-13-19(15-17-10-6-5-7-11-17)18-12-8-9-16(2)14-18/h5-12,14H,3-4,13,15H2,1-2H3
InChIKey	IVPGBARNBSACEL-UHFFFAOYSA-N
Smiles	CCCCN(CC1=CC=CC=C1)C2=CC=CC(=C2)C
Isomeric SMILES	CCCCN(CC1=CC=CC=C1)C2=CC=CC(=C2)C
PubChem CID	15404537
Molecular Weight	253.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	253.400 g/mol
XLogP3	5.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	253.183 Da
Monoisotopic Mass	253.183 Da
Topological Polar Surface Area	3.200 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	232.000
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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