(Aminomethyl)phosphonic acid

• CAS: 1066-51-9
• Catalog Number: ACM1066519
• Category: Organic Phosphine Compounds
• Molecular Weight: 111.04g/mol
• Molecular Formula: CH6NO3P
• Synonyms: AMPA
• IUPAC Name: aminomethylphosphonic acid
• Canonical SMILES: C(N)P(=O)(O)O
• InChI: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
• InChI Key: MGRVRXRGTBOSHW-UHFFFAOYSA-N
• Boiling Point: 358.0±44.0 °C
• Melting Point: 310 °C
• Density: 1.635±0.06 g/cm³
• Appearance: solid
• Complexity: 74.9
• Covalently-Bonded Unit Count: 1
• Exact Mass: 111.00853g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 3
• Heavy Atom Count: 6
• MDL Number: MFCD00008105
• Monoisotopic Mass: 111.00853g/mol
• NSC Number: 30076
• pKa: 1.48±0.10
• Rotatable Bond Count: 1
• UNII: 90825O5C1U
• XLogP3: -4.7

Custom Q&A

What is the molecular formula of (Aminomethyl)phosphonic acid?

The molecular formula is CH6NO3P.

What is the molecular weight of (Aminomethyl)phosphonic acid?

The molecular weight is 111.04 g/mol.

What is the IUPAC name of (Aminomethyl)phosphonic acid?

The IUPAC name is aminomethylphosphonic acid.

What is the InChI key of (Aminomethyl)phosphonic acid?

The InChI key is MGRVRXRGTBOSHW-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in (Aminomethyl)phosphonic acid?

There are 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in (Aminomethyl)phosphonic acid?

There are 4 hydrogen bond acceptor counts.

What is the topological polar surface area of (Aminomethyl)phosphonic acid?

The topological polar surface area is 83.6Ų.

How many heavy atoms are there in (Aminomethyl)phosphonic acid?

There are 6 heavy atoms.

What is the formal charge of (Aminomethyl)phosphonic acid?

The formal charge is 0.

Does (Aminomethyl)phosphonic acid have any defined atom stereocenters?

No, (Aminomethyl)phosphonic acid does not have any defined atom stereocenters.

Synthetic Use

Upstream Synthesis Route 1

• 5332-26-3
• 122-52-1

• 1066-51-9

Reference: [1]Journal of the American Chemical Society,1953,vol. 75,p. 5278

Upstream Synthesis Route 2

• 115340-31-3

• 1066-51-9

Reference: [1],1952,vol. 2,p. 12; dtsch.Ausg.S.15
[2]Liebigs Annalen der Chemie,1988,p. 861 - 868