Basic information
- CAS
65101-39-5- Standard SMILES
O=C(NC12CC3CC(CC(C3)C1)C2)NP(=O)(N1CC1)N1CC1- InChIKey
RFSCKMLXAPNLFZ-UHFFFAOYSA-N- Molecular formula
- C15H25N4O2P
- Average molar mass
- 324.36 g/mol
- Monoisotopic mass
- 324.17151305
Names & identifiers
- Preferred name
- Urea, 1-adamantyl-3-(di(1-aziridinyl)phosphinyl)-
- IUPAC
- 1-(1-adamantyl)-3-[bis(aziridin-1-yl)phosphoryl]urea
Names & synonyms
BRN 6874494Urea, 1-adamantyl-3-(di(1-aziridinyl)phosphinyl)-N-Diethylenediamidophosphonyl-N'-adamantylurea1-Adamantyl-3-(di(1-aziridinyl)phosphinyl)urea65101-39-5DTXSID10215406RefChem:387556DTXCID70137897CHEMBL68218N-[(Adamantan-1-yl)carbamoyl]-P,P-bis(aziridin-1-yl)phosphinic amide
Database identifiers
- CAS
65101-39-5- PubChem CID
- 64464
- DTXSID
DTXSID10215406- ChEMBL
CHEMBL68218- Nikkaji
- J1.607.664C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 500
Experimental & physicochemical properties
LogP1.81
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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