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alpha-(Difluoromethyl)arginine

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Name

alpha-(Difluoromethyl)arginine

EINECS N/A
CAS No. 69955-43-7 Density 1.53 g/cm3
PSA 125.22000 LogP 1.18810
Solubility N/A Melting Point >160°C (dec.)
Formula C7H14F2N4O2 Boiling Point 445.9 °C at 760 mmHg
Molecular Weight 224.211 Flash Point 223.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 69955-43-7 (alpha-(difluoromethyl)arginine) Hazard Symbols N/A
Synonyms

DFMA;DL-a-(Difluoromethyl)arginine;RMI71897;a-(Difluoromethyl)-DL-arginine;a-Difluoromethylarginine;

 

alpha-(Difluoromethyl)arginine Specification

The alpha-(Difluoromethyl)arginine, with the CAS registry number 69955-43-7, is also known as Arginine, 2-(difluoromethyl)-. It belongs to the product categories of Agro-Products; Amino Acids & Derivatives. This chemical's molecular formula is C7H14F2N4O2 and molecular weight is 224.208466. Its IUPAC name is called 2-amino-5-(diaminomethylideneamino)-2-(difluoromethyl)pentanoic acid. This chemical can be used for plant growth regulator.

Physical properties of alpha-(Difluoromethyl)arginine: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.4; (4)ACD/LogD (pH 7.4): -2.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 45.57 cm3; (14)Molar Volume: 146.1 cm3; (15)Surface Tension: 52 dyne/cm; (16)Density: 1.53 g/cm3; (17)Flash Point: 223.5 °C; (18)Enthalpy of Vaporization: 77.17 kJ/mol; (19)Boiling Point: 445.9 °C at 760 mmHg; (20)Vapour Pressure: 3.4E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CC(C(F)F)(C(=O)O)N)CN=C(N)N
(2)InChI: InChI=1S/C7H14F2N4O2/c8-4(9)7(12,5(14)15)2-1-3-13-6(10)11/h4H,1-3,12H2,(H,14,15)(H4,10,11,13)
(3)InChIKey: YEORLXJBCPPSOC-UHFFFAOYSA-N

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