chempirical

N-(Phosphonomethyl)iminodiacetic acid

C5H10NO7PCAS 5994-61-6227.11 g/mol

Open in Covalent MOL file
OOHNOHOPOHOOH
Carboxylic acidPhosphonateTertiary amine

Properties

Molecular formula
C5H10NO7P
Molar mass
227.11 g/mol
Exact mass
227.0195 Da
Melting point
208 °C (decomposes)
logP
-1.41Crippen estimate
Polar surface area
135.4 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
6

Identifiers

CAS number
5994-61-6
SMILES
O=C(O)CN(CC(=O)O)CP(=O)(O)O
InChIKey
AZIHIQIVLANVKD-UHFFFAOYSA-N
InChI
InChI=1S/C5H10NO7P/c7-4(8)1-6(2-5(9)10)3-14(11,12)13/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-
  • Acetic acid, [(phosphonomethyl)imino]di-
  • N-(Carboxymethyl)-N-(phosphonomethyl)glycine
  • Nitrilodiacetic acid methylphosphonic acid
  • Aminomethylphosphonic N,N-diacetic acid
  • MON 820
  • Phosphonomethyliminodiacetic acid
  • Nitrilotris(methylene) triphonic acid
  • PMIDA
  • 2,2′-[(Phosphonomethyl)imino]diacetic acid
  • (Carboxymethyl-phosphonomethyl-amino)-acetic acid
  • 2-[Carboxymethyl(phosphonomethyl)amino]acetic acid

Work with N-(Phosphonomethyl)iminodiacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Polaris2439-99-892 % similar Nitrilotriacetic acid139-13-956 % similar Atmp6419-19-856 % similar Phosphonoacetic acid4408-78-054 % similar Edtmp1429-50-152 % similar Ethylenediaminetetraacetic acid60-00-452 % similar Dota (chelator)60239-18-152 % similar Dtpmp15827-60-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook