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77182-82-2 molecular structure
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2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid amine

ChemBase ID: 157903
Molecular Formular: C5H15N2O4P
Molecular Mass: 198.157361
Monoisotopic Mass: 198.0769436
SMILES and InChIs

SMILES:
CP(=O)(CCC(C(=O)O)N)O.N
Canonical SMILES:
OC(=O)C(CCP(=O)(O)C)N.N
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:157903 http://www.chembase.cn/molecule-157903.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid amine
IUPAC Traditional name
basta amine
Synonyms
2-Amino-4-(hydroxymethylphosphinyl)butyric acid ammonium salt
DL-Phosphinothricin
Glufosinate-ammonium
2-氨基-4-[羟基(甲基)膦酰基]丁酸 铵盐
DL-草胺膦
草铵膦
CAS Number
77182-82-2
EC Number
278-636-5
MDL Number
MFCD00055562
Beilstein Number
8163399
PubChem SID
162252039
PubChem CID
11564649

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
45520 external link Add to cart Please log in.
Data Source Data ID
PubChem 11564649 external link

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 39.661 cm3 Polarizability 15.907188 Å3
Polar Surface Area 100.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
215 °C expand Show data source
Flash Point
>100 °C expand Show data source
>212 °F expand Show data source
RTECS
EK7713600 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
60-63-20/21/22-48/20/22 expand Show data source
Safety Statements
53-45 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H312-H332-H360Fd-H373 expand Show data source
GHS Precautionary statements
P201-P280-P308 + P313 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Empirical Formula (Hill Notation)
C5H15N2O4P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 45520 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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