Basic information
- CAS
3223-17-4- Standard SMILES
O=P(Nc1nccc(N2CCCCC2)n1)(N1CC1)N1CC1- InChIKey
ZPZNWNRHEQWETP-UHFFFAOYSA-N- Molecular formula
- C13H21N6OP
- Average molar mass
- 308.32 g/mol
- Monoisotopic mass
- 308.15144631
Names & identifiers
- Preferred name
- Phosphinic amide, P,P-bis(1-aziridinyl)-N-(4-piperidino-2-pyrimidinyl)-
- IUPAC
- N-[bis(aziridin-1-yl)phosphoryl]-4-piperidin-1-ylpyrimidin-2-amine
Names & synonyms
BRN 06993553223-17-4Phosphinic amide, P,P-bis(1-aziridinyl)-N-(4-piperidino-2-pyrimidinyl)-DTXSID30185990P,P-Bis(1-aziridinyl)-N-(4-piperidino-2-pyrimidinyl)phosphinic amideRefChem:370267DTXCID70108481P,P-Bis(aziridin-1-yl)-N-[4-(piperidin-1-yl)pyrimidin-2-yl]phosphinic amide
Database identifiers
- CAS
3223-17-4- PubChem CID
- 201093
- DTXSID
DTXSID30185990
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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