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Cas Database |
| Name |
Nafoxidine |
EINECS | N/A |
| CAS No. | 1845-11-0 | Density | 1.137g/cm3 |
| PSA | 21.70000 | LogP | 6.01300 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C29H31 N O2 | Boiling Point | 574.5°Cat760mmHg |
| Molecular Weight | 425.571 | Flash Point | 176.7°C |
| Transport Information | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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 |
Article Data | 8 |
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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