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Phenylbutanammonium Chloride - 99% ( 4 Times Purification ), high purity , CAS No.30684-06-1

COA

Grade & Purity:

≥99%(4 Times Purification)

Cas Number: 30684-06-1
Molecular Weight: 185.7
PubChem CID: 44630065
PubChem SID: 504770426

In stock

Item Number

P493282

Grouped product items
SKU	Size	Availability	Price
P493282-50mg	50mg	3	$27.90
P493282-250mg	250mg	2	$87.90
P493282-1g	1g	1	$313.90

Basic Description

Synonyms	4-Phenylbutylamine Hydrochloride \| 30684-06-1 \| 4-phenylbutan-1-amine;hydrochloride \| 4-Phenylbutylamine HCl \| 4-PHENYLBUTAN-1-AMINE HYDROCHLORIDE \| 4-PHENYLBUTYLAMINEHYDROCHLORIDE \| SCHEMBL8734597 \| 1-Amino-4-phenylbutane Hydrochloride \| MFCD03093616 \| AB13248 \| CS-0450782 \|
Specifications & Purity	≥99%(4 Times Purification)
Storage Temp	Protected from light,Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylbutylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylbutylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylbutylamines
Alternative Parents	Aralkylamines Quaternary ammonium salts Organic chloride salts Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylbutylamine - Aralkylamine - Quaternary ammonium salt - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
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	504770426
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770426
IUPAC Name	4-phenylbutan-1-amine;hydrochloride
INCHI	InChI=1S/C10H15N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9,11H2;1H
InChIKey	DGDORWAJHREUEO-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)CCCCN.Cl
Isomeric SMILES	C1=CC=C(C=C1)CCCCN.Cl
PubChem CID	44630065
Molecular Weight	185.7

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
H2312433	Certificate of Analysis	Jul 29, 2023	P493282
H2312435	Certificate of Analysis	Jul 29, 2023	P493282
H2312424	Certificate of Analysis	Jul 29, 2023	P493282
H2312378	Certificate of Analysis	Jul 29, 2023	P493282
H2312421	Certificate of Analysis	Jul 29, 2023	P493282
H2312425	Certificate of Analysis	Jul 29, 2023	P493282

Chemical and Physical Properties

Solubility	Soluble in DMF, DMSO et al
Sensitivity	Moisture sensitive；air sensitive；light sensitive
Melt Point(°C)	163-167°C
Molecular Weight	185.690 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	185.097 Da
Monoisotopic Mass	185.097 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	84.900
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	2

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