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4-Dimethylaminobutyronitrile - 98%, high purity , CAS No.13989-82-7

COA

Grade & Purity:

≥98%

Cas Number: 13989-82-7
Molecular Weight: 112.18
MDL number: MFCD00019892
PubChem CID: 56430
PubChem SID: 488183394

In stock

Item Number

D154664

Grouped product items
SKU	Size	Availability	Price
D154664-1g	1g	3	$95.90
D154664-5g	5g	5	$431.90
D154664-25g	25g	2	$1,942.90
D154664-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$6,994.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	UNII-N28RPK45GM \| YSZC2145 \| Butyronitrile, 4-(dimethylamino)- \| D4546 \| SY028278 \| DS-16279 \| AC1843 \| EN300-130688 \| EINECS 237-788-2 \| Z168912116 \| AKOS000177094 \| DTXSID40161189 \| SCHEMBL150143 \| 4-(Dimethylamino)butanenitrile \| N28RPK45GM \| A18193 \|
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Trialkylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines
Direct Parent	Trialkylamines
Alternative Parents	Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tertiary aliphatic amine - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488183394
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183394
IUPAC Name	4-(dimethylamino)butanenitrile
INCHI	InChI=1S/C6H12N2/c1-8(2)6-4-3-5-7/h3-4,6H2,1-2H3
InChIKey	HCLFLZTVKYHLCF-UHFFFAOYSA-N
Smiles	CN(C)CCCC#N
Isomeric SMILES	CN(C)CCCC#N
Molecular Weight	112.18
Reaxy-Rn	1739526
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739526&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
H2211338	Certificate of Analysis	Jun 22, 2022	D154664
H2211337	Certificate of Analysis	Jun 22, 2022	D154664
H2211342	Certificate of Analysis	Jun 22, 2022	D154664
H2211339	Certificate of Analysis	Jun 22, 2022	D154664

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.43
Flash Point(°C)	60 °C
Boil Point(°C)	80°C/15mmHg(lit.)
Molecular Weight	112.170 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	112.1 Da
Monoisotopic Mass	112.1 Da
Topological Polar Surface Area	27.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	87.900
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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