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CAS No.: | 67037-37-0 |
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Name: | Eflornithine |
Molecular Structure: | |
Formula: | C6H12F2N2O2 |
Molecular Weight: | 182.16800 |
Synonyms: | 2-(Difluoromethyl)-DL-ornithine;BRN 2250529;CCRIS 3718;D,L-alpha-Difluoromethylornithine;DL-alpha-Difluoromethylornithine;UNII-ZQN1G5V6SR;DL-Ornithine, 2-(difluoromethyl)-; |
Density: | 1.293g/cm3 |
Boiling Point: | 347oC at 760 mmHg |
Flash Point: | 163.7oC |
Appearance: | powder |
PSA: | 89.34000 |
LogP: | 1.17310 |
Molecular Structure of DL-alpha-Difluoromethylornithine (67037-37-0):
IUPAC Name: 2,5-Diamino-2-(difluoromethyl)pentanoic acid
Molecular Formula: C6H12F2N2O2
Molecular Weight: 182.168486 g/mol
XLogP3-AA: -2.9
H-Bond Donor: 3
H-Bond Acceptor: 6
Canonical SMILES: C(CC(C(F)F)(C(=O)O)N)CN
InChI: InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
InChIKey: VLCYCQAOQCDTCN-UHFFFAOYSA-N
Index of Refraction: 1.462
Molar Refractivity: 38.73 cm3
Molar Volume: 140.8 cm3
Surface Tension: 43.7 dyne/cm
Density: 1.293 g/cm3
Flash Point: 163.7 °C
Boiling Point: 347 °C at 760 mmHg
Enthalpy of Vaporization: 64.97 kJ/mol
Vapour Pressure: 9.72E-06 mmHg at 25 °C
Water Solubility: 2.56e+005 mg/L at 25 °C
Storage Temp.: -15 °C
BRN of DL-alpha-Difluoromethylornithine (67037-37-0): 2250529
1. | msc-hmn:lym 1250 µmol/L | CNREA8 Cancer Research. 44 (1984),4272. | ||
2. | cyt-ham:ovr 500 µmol/L | CNREA8 Cancer Research. 44 (1984),4535. | ||
3. | ice-rat LD50:1364 µg/kg | APTOA6 Acta Pharmacologica et Toxicologica. 56 (1985),250. |
Poison by intracerebral route. An experimental teratogen. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of F− and NOx. An ornithine-decarboxylase inhibitor.
DL-alpha-Difluoromethylornithine (67037-37-0) is a facial hair remover which is also called for Eflornithine [INN:BAN] ; 2-(Difluoromethyl)-DL-ornithine ; CCRIS 3718 ; D,L-alpha-Difluoromethylornithine ; Eflornithine ; UNII-ZQN1G5V6SR ; DL-Ornithine, 2-(difluoromethyl)- .