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Aminomethanephosphonic Acid

CAT: 0572-TRC-A617340-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A617340-100MGSize:100 mg
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CAS Number
1066-51-9
Synonyms
1-Aminomethylphosphonic Acid
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II
Purity
>95% (HPLC)
Smiles
NCP(=O)(O)O
Molecular Formula
C H6 N O3 P
Molecular Weight
111.04
InChI
InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
Additionnal Information
IUPAC name: aminomethylphosphonic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(Aminomethyl)phosphonic acid

(aminomethyl)phosphonic acid is a member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate. It is a member of phosphonic acids and a one-carbon compound. It is functionally related to a phosphonic acid. It is a conjugate acid of an (aminomethyl)phosphonate(1-).

CAS Number1066-51-9
PubChem CID14017
IUPAC Nameaminomethylphosphonic acid
Molecular FormulaCH6NO3P
Molecular Weight111.04
XLogP-4.7
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity74
SMILES
C(N)P(=O)(O)O
InChI
InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
InChIKey
MGRVRXRGTBOSHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Aminomethyl)phosphonic acid
CAS: 1066-51-9
CID: 14017
Formula: CH6NO3P
MW: 111.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight111.04
XLogP3-4.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass111.00853005
Monoisotopic Mass111.00853005
Topological Polar Surface Area83.6 Ų
Heavy Atom Count6
Formal Charge0
Complexity74.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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L2500-01Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
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