Basic information
- CAS
14596-56-6- Standard SMILES
CN(C)CCP(=O)(O)O- InChIKey
QVUUJUCAEDDQDR-UHFFFAOYSA-N- Molecular formula
- C4H12NO3P
- Average molar mass
- 153.12 g/mol
- Monoisotopic mass
- 153.05548024
Overview
2-dimethylaminoethylphosphonic acid is a phosphonic acid having a 2-dimethylaminoethyl group attached to the phosphorus. It is functionally related to a phosphonic acid. It is an enantiomer of a 2-(dimethylaminoethyl)phosphonate zwitterion.
Names & identifiers
- Preferred name
- P-(2-(Dimethylamino)ethyl)phosphonic acid
- IUPAC
- 2-(dimethylamino)ethylphosphonic acid
- English name
- (2-(dimethylamino)ethyl)phosphonic acid
- Molecular formula
- C4H12NO3P
- Molecular weight
- 153.12
Names & synonyms
14596-56-62-dimethylaminoethylphosphonic acid(2-(Dimethylamino)ethyl)phosphonic acid[2-(dimethylamino)ethyl]phosphonic acidDMAEPMK538ZE7LRNSC-133873CHEBI:7265DTXSID50163215P-(2-(DIMETHYLAMINO)ETHYL)PHOSPHONIC ACIDP-[2-(Dimethylamino)ethyl]phosphonic acidRefChem:928423
Show more names
2-Phosphono-N,N-dimethylethanamine
DTXCID90857062-DimethylaminoethylphosphonateN-Dimethyl-2-aminoethylphosphonate2-(DIMETHYLAMINO)ETHYLPHOSPHONIC ACIDN,N-dimethyl-2-aminoethylphosphonic acidPhosphonic acid, P-[2-(dimethylamino)ethyl]-PHOSPHONIC ACID, P-(2-(DIMETHYLAMINO)ETHYL)-NSC 133873
Database identifiers
- CAS
14596-56-6- PubChem CID
- 97588
- DTXSID
DTXSID50163215- ChEBI
CHEBI:7265- UNII
- MK538ZE7LR
- Nikkaji
- J431.382H
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 224 °C · 224 °C
- Boiling point
- 286.6 · 286.6±42.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 1.51 · 1.51±0.10(Predicted)
- FDA UNII
- 538 ZE7LR · MK538ZE7LR
Chemistry & industry
Suppliers2 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Additional notes
DefinitionChEBI: A phosphonic acid having a 2-dimethylaminoethyl group attached to the phosphorus.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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