1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine
Basic information
- CAS
27578-75-2- Standard SMILES
CN(C)c1ccc(NP(=O)(Nc2ccc(N(C)C)cc2)N(CCCl)CCCl)cc1- InChIKey
OSMMJSUOYLUACI-UHFFFAOYSA-N- Molecular formula
- C20H30Cl2N5OP
- Average molar mass
- 458.4 g/mol
- Monoisotopic mass
- 457.156503
Names & identifiers
- Preferred name
- 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine
- IUPAC
- 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine
Names & synonyms
27578-75-2NSC94546DTXSID50950243NSC99022NSC-94546NSC-99022N,N-Bis(2-chloroethyl)-N',N''-bis[4-(dimethylamino)phenyl]phosphoric triamide
Database identifiers
- CAS
27578-75-2- PubChem CID
- 417689
- DTXSID
DTXSID50950243
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 469
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Compound notes
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