3-Aminopropylphosphonic acid

C₃H₁₀NO₃PCAS 13138-33-5139.09 g/mol

Open in Covalent MOL file

Phosphonate Primary amine

Properties

Molecular formula: C₃H₁₀NO₃P
Molar mass: 139.09 g/mol
Exact mass: 139.0398 Da
logP: -0.49Crippen estimate
Polar surface area: 83.6 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

13138-33-5

SMILES

C(CN)CP(=O)(O)O

InChIKey

GSZQTIFGANBTNF-UHFFFAOYSA-N

InChI

InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)

Weigh it out

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

Work with 3-Aminopropylphosphonic 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

(2-Aminoethyl)phosphonic acid2041-14-771 % similar (3-Bromopropyl)phosphonic acid1190-09-652 % similar Tetradecylphosphonic acid4671-75-448 % similar Hexylphosphonic acid4721-24-848 % similar Octadecylphosphonic acid4724-47-448 % similar Octylphosphonic acid4724-48-548 % similar Aminomethylphosphonic acid1066-51-948 % similar Propylphosphonic acid4672-38-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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