N,N-Bis(2-chloroethyl)-N',N''-bis(2,5-dimethylphenyl)phosphoric triamide
Basic information
- CAS
27578-77-4- Standard SMILES
Cc1ccc(C)c(NP(=O)(Nc2cc(C)ccc2C)N(CCCl)CCCl)c1- InChIKey
ONLCNUVSQIKLQR-UHFFFAOYSA-N- Molecular formula
- C20H28Cl2N3OP
- Average molar mass
- 428.3 g/mol
- Monoisotopic mass
- 427.1347049
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-N',N''-bis(2,5-dimethylphenyl)phosphoric triamide
- IUPAC
- N-[bis(2-chloroethyl)amino-(2,5-dimethylanilino)phosphoryl]-2,5-dimethylaniline
Names & synonyms
27578-77-4NSC99020DTXSID00329187NSC-99020N,N-Bis(2-chloroethyl)-N',N''-bis(2,5-dimethylphenyl)phosphoric triamide
Database identifiers
- CAS
27578-77-4- PubChem CID
- 418221
- DTXSID
DTXSID00329187
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 458
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Compound notes
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