Product Name

  • Name

    N-(benzo[k]tetraphen-7-ylcarbamoyl)glycine

  • EINECS
  • CAS No. 63041-44-1
  • Density 1.414g/cm3
  • Solubility
  • Melting Point
  • Formula C25H18N2O3
  • Boiling Point 704.7°Cat760mmHg
  • Molecular Weight 394.45
  • Flash Point 380°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 63041-44-1 (N-(benzo[k]tetraphen-7-ylcarbamoyl)glycine)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Dibenzanthranyl glycine complex Chemical Properties

Molecule structure of Dibenzanthranyl glycine complex (CAS NO.63041-44-1):

IUPAC Name: 2-(Naphtho[1,2-b]phenanthren-7-ylcarbamoylamino)acetic acid 
Molecular Weight: 394.42202 g/mol
Molecular Formula: C25H18N2O3 
Density: 1.414 g/cm3 
Boiling Point: 704.7 °C at 760 mmHg 
Flash Point: 380 °C
Index of Refraction: 1.822
Molar Refractivity: 121.68 cm3
Molar Volume: 278.9 cm3
Polarizability: 48.24×10-24 cm3
Surface Tension: 73.2 dyne/cm 
Enthalpy of Vaporization: 108.28 kJ/mol
Vapour Pressure: 7.59E-21 mmHg at 25 °C
XLogP3-AA: 5.5
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 394.131742
MonoIsotopic Mass: 394.131742
Topological Polar Surface Area: 78.4
Heavy Atom Count: 30
Complexity: 652
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=CC=CC=C5C4=C3NC(=O)NCC(=O)O
InChI: InChI=1S/C25H18N2O3/c28-22(29)14-26-25(30)27-24-20-12-11-15-5-1-3-7-18(15)21(20)13-17-10-9-16-6-2-4-8-19(16)23(17)24/h1-13H,14H2,(H,28,29)(H2,26,27,30)
InChIKey of Dibenzanthranyl glycine complex (CAS NO.63041-44-1): BKZKQUSLMPCYIT-UHFFFAOYSA-N

Dibenzanthranyl glycine complex Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.

Dibenzanthranyl glycine complex Specification

 Dibenzanthranyl glycine complex (CAS NO.63041-44-1) is also named as 1:2:5:6-Dibenzanthracene-9-carbamido-acetic acid ; 3-07-00-02904 (Beilstein Handbook Reference) ; BRN 3534472 ; N-(Dibenz(a,h)anthracen-7-ylcarbamoyl)glycine ;
Glycine, N-(dibenz(a,h)anthracen-7-ylcarbamoyl)- .

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