Dl-1-(aminoethyl)phosphonic acid

C₂H₈NO₃PCAS 6323-97-3125.06 g/mol

Open in Covalent MOL file

Phosphonate Primary amine

Properties

Molecular formula: C₂H₈NO₃P
Molar mass: 125.06 g/mol
Exact mass: 125.0242 Da
logP: -0.53Crippen estimate
Polar surface area: 83.6 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation95% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6323-97-3

SMILES

CC(N)P(=O)(O)O

InChIKey

UIQSKEDQPSEGAU-UHFFFAOYSA-N

InChI

InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)

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Names and synonyms

1 names

1-(Aminoethyl)phosphonic acid

Work with Dl-1-(aminoethyl)phosphonic 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

Fosfomycin23155-02-441 % similar Fosfomycin tromethamine78964-85-932 % similar Hydroxyphosphonoacetic acid23783-26-830 % similar

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

Same formula

(2-Aminoethyl)phosphonic acid2041-14-7

Elsewhere

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