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1,6,20,25-Tetraaza[6.1.6.1]paracyclophane - >98.0%(HPLC), high purity , CAS No.74043-83-7

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 74043-83-7
Molecular Weight: 504.72
MDL number: MFCD00142567
PubChem CID: 5231738

In stock

Item Number

T162129

Grouped product items
SKU	Size	Availability	Price	Qty
T162129-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
T162129-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$183.90

View related series

Chelate / complex (112) Material synthetic block (276)

Basic Description

Specifications & Purity	≥98%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Secondary amines
        Level6 Secondary alkylarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Secondary amines
Direct Parent	Secondary alkylarylamines
Alternative Parents	Benzenoids Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl).
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	7,12,22,27-tetrazapentacyclo[26.2.2.23,6.213,16.218,21]octatriaconta-1(30),3(38),4,6(37),13(36),14,16(35),18,20,28,31,33-dodecaene
INCHI	InChI=1S/C34H40N4/c1-2-22-36-32-15-7-28(8-16-32)26-30-11-19-34(20-12-30)38-24-4-3-23-37-33-17-9-29(10-18-33)25-27-5-13-31(14-6-27)35-21-1/h5-20,35-38H,1-4,21-26H2
InChIKey	MSPWJYMWDZWVPW-UHFFFAOYSA-N
Smiles	C1CCNC2=CC=C(CC3=CC=C(C=C3)NCCCCNC4=CC=C(CC5=CC=C(C=C5)NC1)C=C4)C=C2
Isomeric SMILES	C1CCNC2=CC=C(CC3=CC=C(C=C3)NCCCCNC4=CC=C(CC5=CC=C(C=C5)NC1)C=C4)C=C2
PubChem CID	5231738
Molecular Weight	504.72

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	183 °C
Molecular Weight	504.700 g/mol
XLogP3	8.600
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	504.325 Da
Monoisotopic Mass	504.325 Da
Topological Polar Surface Area	48.100 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	502.000
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

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