Name: 2，3，4，5-Tetrahydrobenzo[b][1，4]oxazepine - ≥97% , CAS No.7160-97-6
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Benzoxazepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazepines
Alternative Parents	Secondary alkylarylamines Alkyl aryl ethers Benzenoids Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazepine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Benzenoid - Ether - Secondary amine - Azacycle - Oxacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a 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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	149.190 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	149.084 Da
Monoisotopic Mass	149.084 Da
Topological Polar Surface Area	21.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	127.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	C1CNC2=CC=CC=C2OC1
IUPAC Name	2,3,4,5-tetrahydro-1,5-benzoxazepine
InChIKey	HYLJXJSMGIOVIK-UHFFFAOYSA-N
INCHI	1S/C9H11NO/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-5,10H,3,6-7H2
Isómeros SMILES	C1CNC2=CC=CC=C2OC1
CAS alternativo	7160-97-6
PubChem CID	577752
Peso molecular	149.19

2，3，4，5-Tetrahydrobenzo[b][1，4]oxazepine - ≥97% , CAS No.7160-97-6

Specifications