Basic information
- CAS
7147-67-3- Standard SMILES
CNP(=O)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2C)CC1- InChIKey
CMHPBWSNDXVJQX-UHFFFAOYSA-N- Molecular formula
- C18H21Cl3N3O2P
- Average molar mass
- 448.7 g/mol
- Monoisotopic mass
- 447.043697
Names & identifiers
- Preferred name
- N-[[4-(2-methylphenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphoryl]methanamine
- IUPAC
- N-[[4-(2-methylphenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphoryl]methanamine
Names & synonyms
7147-67-3N-[[4-(2-methylphenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphoryl]methanamineNSC 52129NSC52129DTXSID10328762NSC-52129DS-0118522,4,5-Trichlorophenyl N-methyl-P-[4-(2-methylphenyl)piperazin-1-yl]phosphonamidate
Database identifiers
- CAS
7147-67-3- PubChem CID
- 413798
- DTXSID
DTXSID10328762
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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