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35404-71-8 molecular structure
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[(methylamino)methyl]phosphonic acid

ChemBase ID: 173281
Molecular Formular: C2H8NO3P
Molecular Mass: 125.063581
Monoisotopic Mass: 125.02417975
SMILES and InChIs

SMILES:
N(CP(=O)(O)O)C
Canonical SMILES:
CNCP(=O)(O)O
InChI:
InChI=1S/C2H8NO3P/c1-3-2-7(4,5)6/h3H,2H2,1H3,(H2,4,5,6)
InChIKey:
HSMRCPIZVMDSHN-UHFFFAOYSA-N

Cite this record

CBID:173281 http://www.chembase.cn/molecule-173281.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(methylamino)methyl]phosphonic acid
IUPAC Traditional name
(methylamino)methylphosphonic acid
Synonyms
N-Methylaminomethylphosphonic acid
P-[(Methylamino)methyl]phosphonic Acid
[(Methylamino)methyl]phosphonic Acid
NSC 244826
[(Methylamino)methyl] Phosphonic Acid
CAS Number
35404-71-8
PubChem SID
164229191
PubChem CID
99588

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 99588 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -0.60280424  H Acceptors
H Donor LogD (pH = 5.5) -2.6335793 
LogD (pH = 7.4) -3.3299417  Log P -2.6102226 
Molar Refractivity 25.2701 cm3 Polarizability 10.322946 Å3
Polar Surface Area 69.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
267-269°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M286950 external link
An impurity of Glyphosate (G765000).

REFERENCES

REFERENCES

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  • • Gard, J. K., et al.: Xenobiotica, 27, 633 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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