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tert-butyl N-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)carbamate - 97%, high purity , CAS No.86499-69-6

COA

Grade & Purity:

≥97%

Cas Number: 86499-69-6
Molecular Weight: 276.33
PubChem CID: 13243501

In stock

Item Number

T682966

Grouped product items
SKU	Size	Availability	Price
T682966-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$110.90
T682966-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$148.90
T682966-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$246.90
T682966-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$368.90
T682966-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,102.90
T682966-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,874.90

Basic Description

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 Organoheterocyclic compounds
  - Class Benzazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzazepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzazepines
Alternative Parents	Alpha amino acids and derivatives Azepines Benzenoids Carbamate esters Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzazepine - Alpha-amino acid or derivatives - Azepine - Benzenoid - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon 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 N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)carbamate
INCHI	InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-12-9-8-10-6-4-5-7-11(10)16-13(12)18/h4-7,12H,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKey	KMQMLZIXVMSMOI-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1CCC2=CC=CC=C2NC1=O
Isomeric SMILES	CC(C)(C)OC(=O)NC1CCC2=CC=CC=C2NC1=O
PubChem CID	13243501
Molecular Weight	276.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	276.330 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	276.147 Da
Monoisotopic Mass	276.147 Da
Topological Polar Surface Area	67.400 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	376.000
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

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