ChemSpider 2D Image | 1-Amino-4-({4-methoxy-3-[(2-oxo-1-azepanyl)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid | C28H27N3O7S

1-Amino-4-({4-methoxy-3-[(2-oxo-1-azepanyl)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid

  • Molecular FormulaC28H27N3O7S
  • Average mass549.595 Da
  • Monoisotopic mass549.156982 Da
  • ChemSpider ID10143846

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Amino-4-({4-methoxy-3-[(2-oxo-1-azepanyl)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid [ACD/IUPAC Name]
1-Amino-4-({4-methoxy-3-[(2-oxo-1-azepanyl)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydro-2-anthracensulfonsäure [German] [ACD/IUPAC Name]
1-Amino-4-({4-methoxy-3-[(2-oxoazepan-1-yl)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
1-Amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
250-871-8 [EINECS]
2-Anthracenesulfonic acid, 1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo- [ACD/Index Name]
31949-65-2 [RN]
Acide 1-amino-4-({4-méthoxy-3-[(2-oxo-1-azépanyl)méthyl]phényl}amino)-9,10-dioxo-9,10-dihydro-2-anthracènesulfonique [French] [ACD/IUPAC Name]
1-Amino-4-((3-((hexahydro-2-oxo-1H-azepin-1-yl)methyl)-4-methoxyphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
1-AMINO-4-({4-METHOXY-3-[(2-OXOAZEPAN-1-YL)METHYL]PHENYL}AMINO)-9,10-DIOXOANTHRACENE-2-SULFONIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 374.8±3.0 cm3

Click to predict properties on the Chemicalize site


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