Basic information
- CAS
66291-66-5- Standard SMILES
COc1ccc(CC(CN)P(=O)(O)O)cc1- InChIKey
GSXRTTDDXCNSGN-UHFFFAOYSA-N- Molecular formula
- C10H16NO4P
- Average molar mass
- 245.21 g/mol
- Monoisotopic mass
- 245.08169499
Names & identifiers
- Preferred name
- [1-Amino-3-(4-methoxyphenyl)propan-2-yl]phosphonic acid
- IUPAC
- [1-amino-3-(4-methoxyphenyl)propan-2-yl]phosphonic acid
Names & synonyms
66291-66-5[1-amino-3-(4-methoxyphenyl)propan-2-yl]phosphonic acidNSC133867SCHEMBL3847668DTXSID40299956Phosphonic acid, [2-amino-1-[(4-methoxyphenyl)methyl]ethyl]-NSC-133867
Database identifiers
- CAS
66291-66-5- PubChem CID
- 281237
- DTXSID
DTXSID40299956
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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