-
Name
desdimethyltamoxifen
- EINECS
- CAS No. 80234-20-4
- Article Data2
- CAS DataBase
- Density 1.074g/cm3
- Solubility
- Melting Point
- Formula C24H25NO
- Boiling Point 481.1°Cat760mmHg
- Molecular Weight 679.76
- Flash Point 235.5°C
- Transport Information
- Appearance
- Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Desdimethyltamoxifen;Desmethyl Tamoxifen;N,N-Didesmethyl-tamoxifen;N,N-Didemethyltamoxifen;Di-N-demethyltamoxifen;
- PSA 35.25000
- LogP 6.09350
N,N-Didemethyltamoxifen Chemical Properties
IUPAC Name: 2-[4-[(Z)-1,2-Diphenylbut-1-enyl]phenoxy]ethanamine
Synonyms of N,N-Didemethyltamoxifen (CAS NO.80234-20-4): Desdimethyltamoxifen ; N,N-Didesmethyl-tamoxifen ; Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-, (Z)-
InChI: InChI=1/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-
InChIKey: MCJKBWHDNUSJLW-VHXPQNKSBE
Std. InChI: InChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-
Std. InChIKey: MCJKBWHDNUSJLW-VHXPQNKSSA-N
CAS NO: 80234-20-4
Molecular Formula: C24H25NO
Molecular Weight: 343.4614
Molecular Structure : .png)
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 8
Polar Surface Area: 12.47 Å2
Index of Refraction: 1.6
Molar Refractivity: 109.44 cm3
Molar Volume: 319.6 cm3
Surface Tension: 43.7 dyne/cm
Density: 1.074 g/cm3
Flash Point: 235.5 °C
Enthalpy of Vaporization: 74.58 kJ/mol
Boiling Point: 481.1 °C at 760 mmHg
Vapour Pressure: 2.04E-09 mmHg at 25°C
N,N-Didemethyltamoxifen Toxicity Data With Reference
| 1. | add-ipr-rat 440 µmol/kg/4D-C | CRNGDP Carcinogenesis. 20 (1999),2011. |
N,N-Didemethyltamoxifen Safety Profile
Mutation data reported. When N,N-Didemethyltamoxifen (CAS NO.80234-20-4) is heated to decomposition, it emits toxic vapors of NOx.
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