Basic information
- CAS
41363-21-7- Standard SMILES
COC(=O)c1ccc(OC(=O)Nc2ccc(OP(=O)(N3CC3)N3CC3)cc2)cc1- InChIKey
MKZDXYYYRSDVCA-UHFFFAOYSA-N- Molecular formula
- C19H20N3O6P
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.10897236
Names & identifiers
- Preferred name
- Benzoic acid, p-((4-hydroxycarbaniloyl)oxy)-, methyl ester, ester with bis(1-aziridinyl)phosphinate
- IUPAC
- methyl 4-[[4-[bis(aziridin-1-yl)phosphoryloxy]phenyl]carbamoyloxy]benzoate
Names & synonyms
NSC 200715BRN 1609627Benzoic acid, 4-((((4-((bis(1-aziridinyl)phosphinyl)oxy)phenyl)amino)carbonyl)oxy)-, methyl ester41363-21-7Benzoic acid, p-((4-hydroxycarbaniloyl)oxy)-, methyl ester, ester with bis(1-aziridinyl)phosphinate5-20-01-00111 (Beilstein Handbook Reference)RefChem:327797Benzoic acid, 4-((((4-((bis(1-aziridinyl)phosphinyl)oxy)phenyl)amino)carbonyl)oxy)-, methyl ester (9CI)42HYP5EY5WNSC-200715DS-001300METHYL 4-[(4-DIAZIRIDIN-1-YLPHOSPHORYLOXYPHENYL)CARBAMOYLOXY]BENZOATE
Show more names
Methyl 4-[[[[4-[[bis(1-aziridinyl)phosphinyl]oxy]phenyl]amino]carbonyl]oxy]benzoate
Database identifiers
- CAS
41363-21-7- PubChem CID
- 38849
- UNII
- 42HYP5EY5W
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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