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(2S)-2-amino-N,N-diethyl-3-methyl-butanamide - 97%, high purity , CAS No.56414-87-0

COA

Grade & Purity:

≥97%

Cas Number: 56414-87-0
Molecular Weight: 172.27
MDL number: MFCD09724687
PubChem CID: 11435211

In stock

Item Number

A634124

Grouped product items
SKU	Size	Availability	Price
A634124-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
A634124-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
A634124-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
A634124-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90

Basic Description

Synonyms	(S)-2-Amino-N,N-diethyl-3-methylbutanamide \| PS-18770 \| (2S)-2-amino-N,N-diethyl-3-methylbutanamide \| (2S)-2-amino-N,N-diethyl-3-methyl-butanamide \| F78298 \| DTXSID60465717 \| l-valine diethyl amide \| SCHEMBL1619583 \| l-valine diethylamide
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Valine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Valine and derivatives
Alternative Parents	Alpha amino acid amides N-acyl amines Tertiary carboxylic acid amides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Valine or derivatives - Alpha-amino acid amide - N-acyl-amine - Tertiary carboxylic acid amide - Carboxamide group - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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	(2S)-2-amino-N,N-diethyl-3-methylbutanamide
INCHI	InChI=1S/C9H20N2O/c1-5-11(6-2)9(12)8(10)7(3)4/h7-8H,5-6,10H2,1-4H3/t8-/m0/s1
InChIKey	VMRKJJQTRYRJRT-QMMMGPOBSA-N
Smiles	CCN(CC)C(=O)C(C(C)C)N
Isomeric SMILES	CCN(CC)C(=O)[C@H](C(C)C)N
Alternate CAS	56414-87-0
PubChem CID	11435211
Molecular Weight	172.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.270 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	172.158 Da
Monoisotopic Mass	172.158 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	141.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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