Dimethyl (3-amino-3-oxopropyl)phosphonate
Basic information
- CAS
2526-69-4- Standard SMILES
COP(=O)(CCC(N)=O)OC- InChIKey
LSCSYJWMZUCJDW-UHFFFAOYSA-N- Molecular formula
- C5H12NO4P
- Average molar mass
- 181.13 g/mol
- Monoisotopic mass
- 181.05039486
Names & identifiers
- Preferred name
- Dimethyl (3-amino-3-oxopropyl)phosphonate
- IUPAC
- 3-dimethoxyphosphorylpropanamide
- English name
- dimethyl (3-amino-3-oxopropyl)phosphonate
- Molecular formula
- C5H12NO4P
- Molecular weight
- 181.126841
Names & synonyms
Dimethyl (3-amino-3-oxopropyl)phosphonate2526-69-4EINECS 219-765-9DTXSID50179912RefChem:588088DTXCID10102403219-765-9SCHEMBL491759LSCSYJWMZUCJDW-UHFFFAOYSA-NNS000219373-dimethoxyphosphorylpropanamide(3-Amino-3-oxopropyl)phosphonic acid dimethyl ester
Show more names
Phosphonic acid, P-(3-amino-3-oxopropyl)-, dimethyl ester
Database identifiers
- CAS
2526-69-4- PubChem CID
- 75661
- DTXSID
DTXSID50179912- EC Number
- 219-765-9
- Nikkaji
- J192.012J
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Comptox DTXSID
- 50179912 · DTXSID50179912
- HS Code
- 2931900090 · 2931900090
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
This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.
Not Classified
Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Phosphonic acid, (3-amino-3-oxopropyl)-, dimethyl ester
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2931900090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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