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77182-82-2 molecular structure
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ammonium 2-amino-4-[hydroxy(methyl)phosphoryl]butanoate

ChemBase ID: 127172
Molecular Formular: C5H15N2O4P
Molecular Mass: 198.157361
Monoisotopic Mass: 198.0769436
SMILES and InChIs

SMILES:
CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]
Canonical SMILES:
[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+]
InChI:
InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3
InChIKey:
ZBMRKNMTMPPMMK-UHFFFAOYSA-N

Cite this record

CBID:127172 http://www.chembase.cn/molecule-127172.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ammonium 2-amino-4-[hydroxy(methyl)phosphoryl]butanoate
IUPAC Traditional name
ammonium 2-amino-4-[hydroxy(methyl)phosphoryl]butanoate
Synonyms
Glufosinate ammonium
2-Amino-4-(hydroxymethylposphinyl)butanoic acid monoammonium salt
Phosphinothricin
DL-Phosphinothricin
2-Amino-4-(hydroxymethylphosphinyl)butanoic Acid Ammonium Salt
Ammonium Glufosinate
Basta 150SL
Basta Fl
Basta LS
Buster
Dash
Finale
Glufosinate Monoammonium Salt
HOE 00661
HOE 39866
Ignite
Liberty
Glufosinate Ammonium
CAS Number
77182-82-2
PubChem SID
162221494
PubChem CID
53597
Wikipedia Title
DL-Phosphinothricin

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
TRC
G596950 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8575279  H Acceptors
H Donor LogD (pH = 5.5) -6.220079 
LogD (pH = 7.4) -7.120854  Log P -3.7824583 
Molar Refractivity 50.4981 cm3 Polarizability 15.78961 Å3
Polar Surface Area 103.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
187-193°C expand Show data source
205°C expand Show data source
Storage Condition
Hygroscopic, Refrigerator, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R23/24/25 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia TRC TRC
Toronto Research Chemicals - G596950 external link
Used as a herbicide.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Abbas, H., et al.: J. Agric. Food Chem., 50, 5246 (2002)
  • • Gower, S., et al.: Weed Tech., 17, 821 (2002)
  • • Thelen, K., et al.: Crop Sci., 47, 2098 (2002)
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PATENTS

PATENTS

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INTERNET

INTERNET

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