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tert-butyl N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)carbamate - 97%, high purity , CAS No.1212387-46-6

COA

Grade & Purity:

≥97%

Cas Number: 1212387-46-6
Molecular Weight: 240.34
EC Number: 829-986-8
PubChem CID: 43810662

In stock

Item Number

T627442

Grouped product items
SKU	Size	Availability	Price
T627442-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$223.90
T627442-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$357.90
T627442-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$596.90
T627442-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,075.90

Basic Description

Synonyms	1212387-46-6 \| tert-butyl N-(octahydro-1H-isoindol-5-yl)carbamate \| tert-butyl N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)carbamate \| 5-(Boc-amino)octahydroisoindole \| MFCD11505374 \| t-Butyl N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)carbamate \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindoles
Intermediate Tree Nodes	Not available
Direct Parent	Isoindoles
Alternative Parents	Isoindolines Pyrrolidines Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Isoindoline - Isoindole - Pyrrolidine - Carbamic acid ester - Azacycle - Secondary amine - Secondary aliphatic amine - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
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-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)carbamate
INCHI	InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-5-4-9-7-14-8-10(9)6-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKey	MAKONFGDMPDBED-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1CCC2CNCC2C1
Isomeric SMILES	CC(C)(C)OC(=O)NC1CCC2CNCC2C1
Alternate CAS	1212387-46-6
PubChem CID	43810662
Molecular Weight	240.34

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	240.340 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	240.184 Da
Monoisotopic Mass	240.184 Da
Topological Polar Surface Area	50.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	286.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
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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