Skip to the beginning of the images gallery

tert-butyl 4-acetylazepane-1-carboxylate - 97%, high purity , CAS No.1630906-71-6

COA

Grade & Purity:

≥97%

Cas Number: 1630906-71-6
Molecular Weight: 241.33
PubChem CID: 82622049

In stock

Item Number

T629947

Grouped product items
SKU	Size	Availability	Price
T629947-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90
T629947-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$116.90
T629947-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
T629947-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90
T629947-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,304.90
T629947-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,608.90

Basic Description

Synonyms	tert-butyl 4-acetylazepane-1-carboxylate \| 1630906-71-6 \| 1-Boc-4-acetylazepane \| SCHEMBL18519689 \| AMY35711 \| MFCD27986938 \| SB11477 \| tert-butyl4-acetylazepane-1-carboxylate \| AS-52057 \| CS-0054033 \| P14252 \| 1H-Azepine-1-carboxylic acid, 4-acetylhexahy
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azepanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azepanes
Alternative Parents	Carbamate esters Ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azepane - Carbamic acid ester - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom.
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 4-acetylazepane-1-carboxylate
INCHI	InChI=1S/C13H23NO3/c1-10(15)11-6-5-8-14(9-7-11)12(16)17-13(2,3)4/h11H,5-9H2,1-4H3
InChIKey	ZYNLWRZPRVEDFH-UHFFFAOYSA-N
Smiles	CC(=O)C1CCCN(CC1)C(=O)OC(C)(C)C
Isomeric SMILES	CC(=O)C1CCCN(CC1)C(=O)OC(C)(C)C
PubChem CID	82622049
Molecular Weight	241.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	241.330 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	241.168 Da
Monoisotopic Mass	241.168 Da
Topological Polar Surface Area	46.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	294.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration