Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate
Basic information
- CAS
53533-29-2- Standard SMILES
COC(=O)CCc1ccc(NP(=O)(N2CC2)N2CC2)cc1- InChIKey
URCNTZFQUZVHPE-UHFFFAOYSA-N- Molecular formula
- C14H20N3O3P
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.12422851
Names & identifiers
- Preferred name
- Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate
- IUPAC
- methyl 3-[4-[bis(aziridin-1-yl)phosphorylamino]phenyl]propanoate
Names & synonyms
53533-29-2methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoateNSC67046NCIOpen2_008422DTXSID90968286NSC-67046Benzenepropanoic acid,4-[[bis(1-aziridinyl)phosphinyl]amino]-, methyl esterDS-010221
Database identifiers
- CAS
53533-29-2- PubChem CID
- 249085
- DTXSID
DTXSID90968286
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…