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4-(N-Butyl-N-nitrosamino)butyric Acid - >98.0%(T), high purity , CAS No.38252-74-3

COA

Grade & Purity:

≥98%(T)

Cas Number: 38252-74-3
Molecular Weight: 188.23
PubChem CID: 37993

In stock

Item Number

N159330

Grouped product items
SKU	Size	Availability	Price	Qty
N159330-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90
N159330-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$272.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	4-(N-Butyl-N-nitrosamino)butyricacid \| B3185 \| 4-[butyl(nitroso)amino]butanoic acid \| N-Butyl-N-(3-carboxypropyl)nitrosamine \| MFCD00216865 \| 4-(Butylnitrosoamino)butanoic acid \| 4-(BUTYLNITROSOAMINO)-BUTANOIC ACID \| CCRIS 835 \| Butyl(3-carboxypropyl)nitr
Specifications & Purity	≥98%(T)
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 Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Straight chain fatty acids
Alternative Parents	Organic N-nitroso compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Straight chain fatty acid - Organic n-nitroso compound - Organic nitroso compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
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	4-[butyl(nitroso)amino]butanoic acid
INCHI	InChI=1S/C8H16N2O3/c1-2-3-6-10(9-13)7-4-5-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey	OAAQPYUFAOHUMT-UHFFFAOYSA-N
Smiles	CCCCN(CCCC(=O)O)N=O
Isomeric SMILES	CCCCN(CCCC(=O)O)N=O
RTECS	ES8125000
Molecular Weight	188.23
Reaxy-Rn	2257968
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2257968&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Air Sensitive,Heat Sensitive
Melt Point(°C)	41 °C
Molecular Weight	188.220 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	188.116 Da
Monoisotopic Mass	188.116 Da
Topological Polar Surface Area	70.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	161.000
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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