1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea
Basic information
- CAS
54948-28-6- Standard SMILES
O=C(NC=CP(=O)(N1CC1)N1CC1)Nc1ccc(I)cc1- InChIKey
IJWNKPCTJRPNLS-UHFFFAOYSA-N- Molecular formula
- C13H16IN4O2P
- Average molar mass
- 418.17 g/mol
- Monoisotopic mass
- 418.00556
Names & identifiers
- Preferred name
- 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea
- IUPAC
- 1-[2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(4-iodophenyl)urea
- English name
- 1-[2-[Bis(1-aziridinyl)phosphinyl]vinyl]-3-(p-iodophenyl)urea
- Molecular formula
- C13H16IN4O2P
- Molecular weight
- 418.17
Names & synonyms
54948-28-6BRN 15983191-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)ureaPhosphine oxide, bis(1-aziridinyl)((3-(p-iodophenyl)ureido)vinyl)-Urea, 1-(2-(bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)-DTXSID50970289N'-{2-[Bis(aziridin-1-yl)phosphoryl]ethen-1-yl}-N-(4-iodophenyl)carbamimidic acidN'-{2-[Bis(aziridin-1-yl)phosphoryl]ethenyl}-N-(4-iodophenyl)carbamimidic acid1-[2-[Bis(1-aziridinyl)phosphinyl]vinyl]-3-(p-iodophenyl)ureaBis(1-aziridinyl)[2-[3-(4-iodophenyl)ureido]vinyl]phosphine oxideUrea, N-[2-[bis(1-aziridinyl)phosphinyl]ethenyl]-N'-(4-iodophenyl)-
Database identifiers
- CAS
54948-28-6- PubChem CID
- 108294
- DTXSID
DTXSID50970289
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Density
- 1.8 · 1.80±0.1 g/cm3(Predicted)
- pka
- 10.99 · 10.99±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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