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Neopentylamine - >98.0%(GC), high purity , CAS No.5813-64-9

COA

Grade & Purity:

≥98%(GC)

Cas Number: 5813-64-9
Molecular Weight: 87.17
Beilstein Registry Number: 4188
MDL number: MFCD00008134
PubChem CID: 79882
PubChem SID: 488185795

In stock

Item Number

N159082

Grouped product items
SKU	Size	Availability	Price
N159082-5ml	5ml	2	$29.90
N159082-25ml	25ml	3	$114.90
N159082-100ml	100ml	5	$410.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	InChI=1/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H \| 2,2-Dimethyl-1-propylamine \| N0505 \| EN300-52478 \| 1-Propanamine,2-dimethyl- \| A15668 \| GS-5465 \| NSC 165660 \| 2,2-dimethyl-propylamin \| 2,2-dimethylpropyl amine \| 2,2-dimethyl-propyl amine \| 4-Biphenylyl ethylket
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Primary amines
        Level6 Monoalkylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Primary amines
Direct Parent	Monoalkylamines
Alternative Parents	Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
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

Pubchem Sid	488185795
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185795
IUPAC Name	2,2-dimethylpropan-1-amine
INCHI	InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
InChIKey	XDIAMRVROCPPBK-UHFFFAOYSA-N
Smiles	CC(C)(C)CN
Isomeric SMILES	CC(C)(C)CN
Molecular Weight	87.17
Beilstein	4188
Reaxy-Rn	1730983
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730983&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
I2011141	Certificate of Analysis	Jul 16, 2024	N159082
I2011137	Certificate of Analysis	Jul 16, 2024	N159082
D1903149	Certificate of Analysis	Jan 06, 2023	N159082
H2202464	Certificate of Analysis	Jun 16, 2022	N159082
H2202388	Certificate of Analysis	Jun 16, 2022	N159082

Chemical and Physical Properties

Sensitivity	Air sensitive
Refractive Index	1.40
Flash Point(°C)	-13℃
Boil Point(°C)	82 °C
Molecular Weight	87.160 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	87.1048 Da
Monoisotopic Mass	87.1048 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	33.700
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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