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(S)-1-(4-Isopropylphenyl)ethanamine - ≥95%, high purity , CAS No.68285-22-3

COA

Grade & Purity:

≥95%

Cas Number: 68285-22-3
Molecular Weight: 163.26
PubChem CID: 2512963

In stock

Item Number

E699796

Grouped product items
SKU	Size	Availability	Price	Qty
E699796-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,145.90
E699796-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,715.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic monoterpenoids
Alternative Parents	Monocyclic monoterpenoids Phenylpropanes Cumenes Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Phenylpropane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Primary amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
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	(1S)-1-(4-propan-2-ylphenyl)ethanamine
INCHI	InChI=1S/C11H17N/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9H,12H2,1-3H3/t9-/m0/s1
InChIKey	UHAQMLODFYUKOM-VIFPVBQESA-N
Smiles	CC(C)C1=CC=C(C=C1)C(C)N
Isomeric SMILES	C[C@@H](C1=CC=C(C=C1)C(C)C)N
PubChem CID	2512963
Molecular Weight	163.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	163.260 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	163.136 Da
Monoisotopic Mass	163.136 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	123.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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