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1-(4-AMINOPHENYL)-1-BUTANONE , CAS No.1688-71-7

COA

Cas Number: 1688-71-7
Molecular Weight: 163.221
PubChem CID: 15527

In stock

Item Number

A167824

Grouped product items
SKU	Size	Availability	Price	Qty
A167824-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$327.90

Basic Description

Synonyms	FT-0676451 \| DTXSID4061884 \| 1-(4-amino-phenyl)-butan-1-one \| 1-Butanone, 1-(4-aminophenyl)- \| AKOS009158786 \| BRN 2084800 \| 1-Butanone,1-(4-aminophenyl)- \| 1-(4-aminophenyl)-butan-1-one \| 1-(4-aminophenyl)butan-1-one \| 4-14-00-00166 (Beilstein Handbook R
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Butyrophenones Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Butyrophenone - Aniline or substituted anilines - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

IUPAC Name	1-(4-aminophenyl)butan-1-one
INCHI	InChI=1S/C10H13NO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3,11H2,1H3
InChIKey	CYCSOZSEBPZGPC-UHFFFAOYSA-N
Smiles	CCCC(=O)C1=CC=C(C=C1)N
Isomeric SMILES	CCCC(=O)C1=CC=C(C=C1)N
Molecular Weight	163.221
Reaxy-Rn	2084800
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2084800&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	163.220 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	163.1 Da
Monoisotopic Mass	163.1 Da
Topological Polar Surface Area	43.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148.000
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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