Product Name

  • Name

    Nafoxidine

  • EINECS
  • CAS No. 1845-11-0
  • Article Data8
  • CAS DataBase
  • Density 1.137g/cm3
  • Solubility
  • Melting Point
  • Formula C29H31 N O2
  • Boiling Point 574.5°Cat760mmHg
  • Molecular Weight 425.571
  • Flash Point 176.7°C
  • Transport Information
  • Appearance
  • Safety Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1845-11-0 (Nafoxidine)
  • Hazard Symbols
  • Synonyms Pyrrolidine,1-[2-[p-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy]ethyl]- (7CI,8CI);1-(2-[p-(3,4-Dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy]ethyl)pyrrolidine;Nafoxidene; Nafoxidine
  • PSA 21.70000
  • LogP 6.01300

Nafoxidine Chemical Properties

Product Name: Nafoxidine (CAS NO.1845-11-0)


Molecular Formula: C29H31NO2
Molecular Weight: 425.61g/mol
Mol File: 1845-11-0.mol
Boiling point: 574.5 °C at 760 mmHg
Flash Point: 176.7 °C
Density: 1.137 g/cm3
Surface Tension: 46 dyne/cm
Enthalpy of Vaporization: 86.07 kJ/mol
Vapour Pressure: 3.33E-13 mmHg at 25
XLogP3-AA: 5.8
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Nafoxidine (CAS NO.1845-11-0):
  IUPAC Name: 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
  Canonical SMILES: COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5
  InChI: InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3 
  InChIKey: JEYWNNAZDLFBFF-UHFFFAOYSA-N

Nafoxidine Toxicity Data With Reference

1.    

dni-hmn:mmr 1 µmol/L

     CNREA8    Cancer Research. 45 (1985),1611.
2.    

scu-rat TDLo:250 µg/kg (1D pre):REP

     JMCMAR    Journal of Medicinal Chemistry. 25 (1982),323.
3.    

scu-rat TDLo:500 µg/kg:ETA

     JSTBBK    Journal of Steroid Biochemistry. 12 (1980),47.

Nafoxidine Safety Profile

Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Nafoxidine Specification

 Nafoxidine ,its CAS NO. is 1845-11-0,the synonyms is 1-(2-(p-(3,4-Dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy)ethyl)pyrrolidine ; 5-20-01-00210 (Beilstein Handbook Reference) ; BRN 1440873 ; NSC 70735 ; Nafoxidinum ; Pyrrolidine, 1-(2-(4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)ethyl)- .

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