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N-isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline - 97%, high purity , CAS No.1256360-63-0

COA

Grade & Purity:

≥97%

Cas Number: 1256360-63-0
Molecular Weight: 261.18
EC Number: 805-120-4
PubChem CID: 53217352

In stock

Item Number

N627809

Grouped product items
SKU	Size	Availability	Price	Qty
N627809-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90
N627809-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$346.90

Basic Description

Synonyms	1256360-63-0 \| CS-0154188 \| 4-Isopropylaminophenylboronic acid pinacol ester \| Benzenamine, N-(1-methylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- \| N-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline \| N-(Propan-2-yl)-4-(4,4,5,
Specifications & Purity	≥97%
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 Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Aralkylamines
        Level6 Phenylalkylamines
        Level7 Phenylisopropylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Aralkylamines - Phenylalkylamines
Direct Parent	Phenylisopropylamines
Alternative Parents	Aniline and substituted anilines Secondary alkylarylamines Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organopnictogen compounds Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylisopropylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Organoheterocyclic compound - Secondary amine - Oxacycle - Organic metalloid salt - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic metalloid moeity - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylisopropylamines. These are organic aromatic compounds containing a 1-phenylpropan-2-amine 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	N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
INCHI	InChI=1S/C15H24BNO2/c1-11(2)17-13-9-7-12(8-10-13)16-18-14(3,4)15(5,6)19-16/h7-11,17H,1-6H3
InChIKey	KUQCOTSTUVAICI-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(C)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(C)C
Alternate CAS	1256360-63-0
PubChem CID	53217352
Molecular Weight	261.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	261.170 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	261.19 Da
Monoisotopic Mass	261.19 Da
Topological Polar Surface Area	30.500 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	293.000
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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