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2-Amino-2，3-dimethylbutanenitrile - ≥90%, high purity , CAS No.13893-53-3

COA

Grade & Purity:

≥90%

Cas Number: 13893-53-3
Molecular Weight: 112.18
MDL number: MFCD00661864
PubChem CID: 94355

In stock

Item Number

A768845

Grouped product items
SKU	Size	Availability	Price
A768845-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
A768845-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$107.90
A768845-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$324.90
A768845-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$796.90

Basic Description

Specifications & Purity	≥90%
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 Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Organic cyanides
      - Level5 Nitriles
        Level6 Alpha-aminonitriles

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Organic cyanides
Intermediate Tree Nodes	Nitriles
Direct Parent	Alpha-aminonitriles
Alternative Parents	Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-aminonitrile - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Amine - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-aminonitriles. These are organonitrogen compounds that contain an amino group located on the carbon at the position alpha to a carbonitrile group. They have the general formula RC(NH2)C#N, where the amine group can be substituted.
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-amino-2,3-dimethylbutanenitrile
INCHI	InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3
InChIKey	CAOHBROWLMCZRP-UHFFFAOYSA-N
Smiles	CC(C)C(C)(C#N)N
Isomeric SMILES	CC(C)C(C)(C#N)N
PubChem CID	94355
Molecular Weight	112.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	112.170 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	112.1 Da
Monoisotopic Mass	112.1 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	120.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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