Name: 2-Aminoperimidine hydrobromide hydrate - ≥98% , CAS No.313223-13-1
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Quinazolines
Direct Parent	Perimidines
Alternative Parents	Quinazolinamines Naphthalenes Aminopyrimidines and derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrobromides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Perimidine - Quinazolinamine - Naphthalene - Aminopyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Amine - Hydrobromide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as perimidines. These are organic compounds containing a benzene ring fused to a quinazoline ring system. They are analogues of phenalenes where two carbon atoms in exactly one ring are replaced by nitrogen atoms to form a pyrimidine.
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	282.140 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	281.016 Da
Monoisotopic Mass	281.016 Da
Topological Polar Surface Area	51.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	261.000
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	3

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	C1=CC2=C3C(=C1)NC(=NC3=CC=C2)N.O.Br
IUPAC Name	1H-perimidin-2-amine;hydrate;hydrobromide
InChIKey	OOXFTZVZWUMSIW-UHFFFAOYSA-N
INCHI	1S/C11H9N3.BrH.H2O/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8;;/h1-6H,(H3,12,13,14);1H;1H2
Isómeros SMILES	C1=CC2=C3C(=C1)NC(=NC3=CC=C2)N.O.Br
WGK Alemania	3
PubChem CID	2795579
Peso molecular	282.14

2-Aminoperimidine hydrobromide hydrate - ≥98% , CAS No.313223-13-1

Specifications