Welcome to LookChem.com Sign In|Join Free

Product Name

  • or
Home > Products > 

Adenine propenal

Basic Information Post buying leads Suppliers
  • Name Adenine propenal
  • EINECSN/A
  • CAS No. 90029-73-5
  • Density1.53g/cm3
  • PSA86.69000
  • LogP0.65930
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC8H7 N5 O
  • Boiling Point486.8°Cat760mmHg
  • Molecular Weight189.176
  • Flash Point248.2°C
  • Transport InformationN/A
  • AppearanceN/A
  • SafetyMutation data reported. When heated to decomposition it emits toxic vapors of NOx.
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 90029-73-5 (9-(3-oxoprop-1-enyl)adenine)
  • Hazard SymbolsN/A
  • SynonymsN/A

Adenine propenal Chemical Properties

Molecule structure of Adenine propenal (CAS NO.90029-73-5):

IUPAC Name: (E)-3-(6-Aminopurin-9-yl)prop-2-enal 
Molecular Weight: 189.17408 g/mol
Molecular Formula: C8H7N5
Density: 1.53 g/cm3 
Boiling Point: 486.8 °C at 760 mmHg 
Flash Point: 248.2 °C
Index of Refraction: 1.748
Molar Refractivity: 50.19 cm3
Molar Volume: 123.3 cm3
Polarizability: 19.9×10-24 cm3
Surface Tension: 72.4 dyne/cm 
Enthalpy of Vaporization: 75.26 kJ/mol
Vapour Pressure: 1.25E-09 mmHg at 25 °C
XLogP3: -0.3
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 189.06506
MonoIsotopic Mass: 189.06506
Topological Polar Surface Area: 86.7
Heavy Atom Count: 14
Complexity: 244
Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C=CC=O
Isomeric SMILES: C1=NC2=C(C(=N1)N)N=CN2/C=C/C=O
InChI: InChI=1S/C8H7N5O/c9-7-6-8(11-4-10-7)13(5-12-6)2-1-3-14/h1-5H,(H2,9,10,11)/b2-1+
InChIKey of Adenine propenal (CAS NO.90029-73-5): LYXOMQKQLZJTQN-OWOJBTEDSA-N

Adenine propenal Toxicity Data With Reference

1.    

add-ctl-oth 0.5 mmol/L/24H

    CRTOEC    Chemical Research in Toxicology. 13 (2000),1235.
2.    

mic-sat 0.1 µmol/plate/48H

    CRTOEC    Chemical Research in Toxicology. 13 (2000),1235.

Adenine propenal Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Adenine propenal Specification

 Adenine propenal (CAS NO.90029-73-5) is also named as 9-(3-Oxoprop-1-enyl)adenine ; 3-(6-Amino-9H-purin-9-yl)-2-propenal ; CCRIS 8712 ; 2-Propenal, 3-(6-amino-9H-purin-9-yl)- .

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 90029-73-5
Related Products

Hot Products

Post a RFQ