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2-Methyl-2-(4-boronophenyl)propylamine, HCl - 96%, high purity , CAS No.957120-45-5

COA

Grade & Purity:

≥96%

Cas Number: 957120-45-5
Molecular Weight: 229.5
PubChem CID: 44118605

In stock

Item Number

M188822

Grouped product items
SKU	Size	Availability	Price	Qty
M188822-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
M188822-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$622.90

Discover 2-Methyl-2-(4-boronophenyl)propylamine, HCl by Aladdin Scientific in 96% for only $172.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	957120-45-5 \| (4-(1-Amino-2-methylpropan-2-yl)phenyl)boronic acid hydrochloride \| 2-Methyl-2-(4-boronophenyl)propylamine, HCl \| (4-(1-Amino-2-methylpropan-2-yl)phenyl)-boronic acid hydrochloride \| [4-(1-amino-2-methylpropan-2-yl)phenyl]boronic acid;hydrochloride \|
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Aralkylamines Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Aralkylamine - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Organic metalloid moeity - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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-(1-amino-2-methylpropan-2-yl)phenyl]boronic acid;hydrochloride
INCHI	InChI=1S/C10H16BNO2.ClH/c1-10(2,7-12)8-3-5-9(6-4-8)11(13)14;/h3-6,13-14H,7,12H2,1-2H3;1H
InChIKey	DMWSIXKMXBGKNV-UHFFFAOYSA-N
Smiles	B(C1=CC=C(C=C1)C(C)(C)CN)(O)O.Cl
Isomeric SMILES	B(C1=CC=C(C=C1)C(C)(C)CN)(O)O.Cl
Molecular Weight	229.5
Reaxy-Rn	44162916
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44162916&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	229.510 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	229.104 Da
Monoisotopic Mass	229.104 Da
Topological Polar Surface Area	66.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	177.000
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	2

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