4-Morpholinephosphonic acid, di-o-tolyl ester
Basic information
- CAS
64039-15-2- Standard SMILES
Cc1ccccc1OP(=O)(Oc1ccccc1C)N1CCOCC1- InChIKey
RVYFKHBCERDLRT-UHFFFAOYSA-N- Molecular formula
- C18H22NO4P
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 347.12864518
Names & identifiers
- Preferred name
- 4-Morpholinephosphonic acid, di-o-tolyl ester
- IUPAC
- 4-bis(2-methylphenoxy)phosphorylmorpholine
- English name
- Morpholinophosphonic acid di-o-tolyl ester
- Molecular formula
- C18H22NO4P
- Molecular weight
- 347.35
Names & synonyms
4-Morpholinephosphonic acid, di-o-tolyl esterRefChem:107126564039-15-2MLS003171566Di-o-tolyl 4-morpholinephosphonatebis(2-methylphenyl) morpholin-4-ylphosphonateMorpholinophosphonic acid di-o-tolyl esterNSC404395CHEMBL2355001DTXSID80982113Phosphonic acid, 4-morpholinyl-, bis(2-methylphenyl) esterNSC 404395
Show more names
Phosphonic acid, 4-morpholinyl-, bis(2-methylphenyl) ester (9CI)
NSC-404395SMR001875448DB-320132Phosphonic acid, bis(2-methylphenyl) ester
Database identifiers
- CAS
64039-15-2- PubChem CID
- 101273
- DTXSID
DTXSID80982113- ChEMBL
CHEMBL2355001- Nikkaji
- J75.109J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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