2,10-Bis(3-aminopropoxy)dibenzo[a,j]perylene-8,16-dione

Base Information

• Chemical Name: 2,10-Bis(3-aminopropoxy)dibenzo[a,j]perylene-8,16-dione
• CAS No.: 243670-16-8
• Molecular Formula: C34H28N2O4
• Molecular Weight: 528.605
• European Community (EC) Number: 634-790-9
• DSSTox Substance ID: DTXSID00440942
• Nikkaji Number: J1.267.526G
• Wikidata: Q82257451
• Mol file: 243670-16-8.mol

Synonyms:243670-16-8;2,10-Bis(3-aminopropoxy)dibenzo[a,j]perylene-8,16-dione;NIR-628;2 10-BIS(3-AMINOPROPOXY)DIBENZO[A J]PERY;6,19-bis(3-aminopropoxy)heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;SCHEMBL8485669;DTXSID00440942;3,3'-[(8,16-Dihydro-8,16-dioxodibenzo[a,j]perylen-2,10-diyl)dioxy]dipropylamine;J-015470;NIR-628, suitable for fluorescence, >=98.0% (HPCE);2,10-bis-(3-aminopropyloxy) dibenzo[a,j]perylene-8,16-dione

Chemical Property of 2,10-Bis(3-aminopropoxy)dibenzo[a,j]perylene-8,16-dione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 186-190 °C
• Boiling Point: 826.245°C at 760 mmHg
• PKA: 9.80±0.10(Predicted)
• Flash Point: 308.138°C
• PSA: 104.64000
• Density: 1.356g/cm³
• LogP: 7.27160
• Solubility.: acetonitrile: 0.5%, clear
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 528.20490738
• Heavy Atom Count: 40
• Complexity: 867

Purity/Quality:

95% ^*data from raw suppliers

NIR-628 suitableforfluorescence,≥98.0%(HPCE) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C4=C(C=C(C=C4)OCCCN)C(=O)C5=CC=CC(=C53)C6=C2C(=C1)C(=O)C7=C6C=CC(=C7)OCCCN