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(S)-tert-Butyl (1-phenylbut-3-en-2-yl)carbamate - ≥97%, high purity , CAS No.107202-43-7

COA

Grade & Purity:

≥97%

Cas Number: 107202-43-7
Molecular Weight: 247.33
PubChem CID: 11064740

In stock

Item Number

T692637

Grouped product items
SKU	Size	Availability	Price
T692637-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$594.90
T692637-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$798.90
T692637-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,575.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Amphetamines and derivatives
Alternative Parents	Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Amphetamine or derivatives - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-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

IUPAC Name	tert-butyl N-[(2S)-1-phenylbut-3-en-2-yl]carbamate
INCHI	InChI=1S/C15H21NO2/c1-5-13(11-12-9-7-6-8-10-12)16-14(17)18-15(2,3)4/h5-10,13H,1,11H2,2-4H3,(H,16,17)/t13-/m1/s1
InChIKey	WNAHEVXTGAEKIY-CYBMUJFWSA-N
Smiles	CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C=C
Isomeric SMILES	CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C=C
PubChem CID	11064740
Molecular Weight	247.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	247.330 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	247.157 Da
Monoisotopic Mass	247.157 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	275.000
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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