-
Name
2-amino-4-(hydroxymethylphosphinyl)butyric acid
- EINECS 257-102-5
- CAS No. 51276-47-2
- Article Data32
- CAS DataBase
- Density 1.378 g/cm3
- Solubility
- Melting Point 230 ºC
- Formula C5H12NO4P
- Boiling Point 519.1 ºC at 760 mmHg
- Molecular Weight 181.128
- Flash Point 267.7 ºC
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Phosphinothricin;3-Amino-3-carboxypropylmethylphosphinic acid;DL-2-Amino-4-(methylphosphino)butanoic acid;DL-Phosphinothricin;Glufosinate;HOE 35956;
- PSA 110.43000
- LogP 0.38890
Phosphinothricin Specification
The IUPAC name of Phosphinothricin is 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid. With the CAS registry number 51276-47-2 , it is also named as Glufosinate. The product's classification codes are Enzyme inhibitors; Herbicides; Pesticides, and the other registry numbers are 126633-48-5 and 53369-07-6. In addition, its molecular formula is C5H12NO4P and molecular weight is 181.126841. Besides, it is used for weeding in orchards, vineyards, non-arable and so on.
The other characteristics of Phosphinothricin can be summarized as: (1)EINECS: 257-102-5; (2)ACD/LogP: -0.75; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -4.24; (5)ACD/LogD (pH 7.4): -4.25; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 5; (11)H bond donors: 4; (12)Freely Rotating Bonds: 5; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 38.68 cm3; (15)Molar Volume: 131.4 cm3; (16)Surface Tension: 61.6 dyne/cm; (17)Density: 1.378 g/cm3; (18)Flash Point: 267.7 °C; (19)Melting Point: 230 °C; (20)Enthalpy of Vaporization: 86.64 kJ/mol; (21)Boiling Point: 519.1 °C at 760 mmHg; (22)Vapour Pressure: 3.61E-12 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=P(O)(CCC(C(=O)O)N)C
(2)InChI:InChI=1/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
(3)InChIKey:IAJOBQBIJHVGMQ-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
(5)Std. InChIKey:IAJOBQBIJHVGMQ-UHFFFAOYSA-N
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