-
Name
Eflornithine hydrochloride hydrate
- EINECS
- CAS No. 96020-91-6
- Density 1.293g/cm3
- Solubility
- Melting Point >210 °C (dec.)
- Formula C6H12F2N2O2.HCl.H2O
- Boiling Point 347 °C at 760 mmHg
- Molecular Weight 236.65
- Flash Point 163.7 °C
- Transport Information
- Appearance white solid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms DL-Ornithine,2-(difluoromethyl)-, monohydrochloride, monohydrate;Ornithine, 2-(difluoromethyl)-,monohydrochloride, monohydrate (9CI);Eflornithine HCl;
- PSA 98.57000
- LogP 1.91080
Eflornithine hydrochloride hydrate Specification
The DL-Ornithine, 2-(difluoromethyl)-, monohydrochloride, monohydrate is an organic compound with the formula C6H12F2N2O2.HCl.H2O. The IUPAC name of this chemical is 2,5-diamino-2-(difluoromethyl)pentanoic acid hydrate hydrochloride. With the CAS registry number 96020-91-6, it is also named as Eflornithine hydrochloride monohydrate. The product's category is Facial Hair Remover. In addition, the molecualr weight is 236.65.
The other characteristics of DL-Ornithine, 2-(difluoromethyl)-, monohydrochloride, monohydrate can be summarized as: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 32.78 Å2; (11)Flash Point: 163.7 °C; (12)Enthalpy of Vaporization: 64.97 kJ/mol; (13)Boiling Point: 347 °C at 760 mmHg; (14)Vapour Pressure: 9.72E-06 mmHg at 25°C; (15)Rotatable Bond Count: 5; (16)Exact Mass: 236.073926; (17)MonoIsotopic Mass: 236.073926; (18)Topological Polar Surface Area: 90.3; (19)Heavy Atom Count: 14; (20)Formal Charge: 0; (21)Complexity: 166.
People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)C(N)(C(=O)O)CCCN.Cl.O
2. InChI:InChI=1/C6H12F2N2O2.ClH.H2O/c7-4(8)6(10,5(11)12)2-1-3-9;;/h4H,1-3,9-10H2,(H,11,12);1H;1H2
3. InChIKey:FJPAMFNRCFEGSD-UHFFFAOYAL
4. Std. InChI:InChI=1S/C6H12F2N2O2.ClH.H2O/c7-4(8)6(10,5(11)12)2-1-3-9;;/h4H,1-3,9-10H2,(H,11,12);1H;1H2
5. Std. InChIKey:FJPAMFNRCFEGSD-UHFFFAOYSA-N
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