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N-N-Butyl-N-Methylethanolamine - ≥96%, high purity , CAS No.2893-48-3

COA

Grade & Purity:

≥96%

Cas Number: 2893-48-3
PubChem CID: 237041

In stock

Item Number

N696672

Grouped product items
SKU	Size	Availability	Price	Qty
N696672-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Alkanolamines
        Level6 1,2-aminoalcohols

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Alkanolamines
Direct Parent	1,2-aminoalcohols
Alternative Parents	Trialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
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	2-[butyl(methyl)amino]ethanol
INCHI	InChI=1S/C7H17NO/c1-3-4-5-8(2)6-7-9/h9H,3-7H2,1-2H3
InChIKey	YSNMZQFDMNKNFQ-UHFFFAOYSA-N
Smiles	CCCCN(C)CCO
Isomeric SMILES	CCCCN(C)CCO
Alternate CAS	2893-48-3
PubChem CID	237041
NSC Number	40251

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	131.220 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	131.131 Da
Monoisotopic Mass	131.131 Da
Topological Polar Surface Area	23.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	56.900
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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