Basic information
- CAS
2041-14-7- Standard SMILES
NCCP(=O)(O)O- InChIKey
QQVDJLLNRSOCEL-UHFFFAOYSA-N- Molecular formula
- C2H8NO3P
- Average molar mass
- 125.06 g/mol
- Monoisotopic mass
- 125.02417975
Overview
(2-aminoethyl)phosphonic acid is a phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group. It has a role as a metabolite, a mouse metabolite and a human metabolite. It is a member of phosphonic acids and a primary amino compound. It is functionally related to a phosphonic acid. It is a tautomer of a (2-aminoethyl)phosphonic acid zwitterion.
Names & identifiers
- Preferred name
- (2-Aminoethyl)phosphonic acid
- IUPAC
- 2-aminoethylphosphonic acid
- English name
- (2-Aminoethyl)phosphonic acid
- Molecular formula
- C2H8NO3P
- Molecular weight
- 125.06
Names & synonyms
(2-Aminoethyl)phosphonic acid2041-14-72-aminoethylphosphonic acidCiliatinePhosphonoethylamineAMINOETHYLPHOSPHONIC ACID(2-Aminoethane)phosphonic acidPhosphonic acid, (2-aminoethyl)-beta-Aminoethylphosphonic acidAH00YJQ334NSC-133837CHEBI:15573
Show more names
2-AEP2-Aminoethyl-phosphonate2-Amnoethylphosphonic Acid2-Aminoethanephosphonic acid(2-aminethyl)phosphonic acid2-AMinoethylphosphonic acid 99%(2-Aminoethyl)phosphonic acid,99%Phosphonic acid, P-(2-aminoethyl)-
DTXSID101743622-azaniumylethyl(hydroxy)phosphinateRefChem:388791Acid, Aminoethylphosphonic2 Aminoethylphosphonic AcidAcid, 2-AminoethylphosphonicDTXCID0096853218-043-0
Database identifiers
- CAS
2041-14-7- PubChem CID
- 339
- DTXSID
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 86.9
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section
129 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
118.25 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
132.21 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
130.1 Ų [M+H]+
Physicochemical properties
- Melting point
- 296 °C · 296 °C (dec.) (lit.)
- Boiling point
- 352.5 · 352.5±44.0 °C(Predicted)
- Density
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 50 mg/mL, · water: soluble50mg/mL, clear, colorless
- form
- Crystalline Powder
- pka
- 1 · pK1: 2.45(+1) ;pK2: 7.0(0);pK3: 10.8(-1) (25°C)
- color
- White to beige
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29319000
- risk_code
- 36/38-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
Uses2-Aminoethylphosphonic acid was used as a growth medium for the marine bacterium Roseovarius nubinhibens ISM.
General DescriptionThe surface of gold nanoparticles (Au NPs) were functionalized with 2-aminoethylphosphonic acid that exhibited calcium affinity which enabled targeted delivery of Au NPs to calcified tissue.
Upstream & downstream products
Upstream raw materials
Suppliers73 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
3 records
Compound notes
Loading…