Basic information
- CAS
78218-98-1- Standard SMILES
CCCNP(=O)(OCCCl)N(CCCl)CCCl- InChIKey
GPJGEEOZBZTRLO-UHFFFAOYSA-N- Molecular formula
- C9H20Cl3N2O2P
- Average molar mass
- 325.6 g/mol
- Monoisotopic mass
- 324.032798
Names & identifiers
- Preferred name
- 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate
- IUPAC
- N-[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]propan-1-amine
Names & synonyms
78218-98-1DTXSID509994902-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidateRefChem:1062864DTXCID901426462B 711Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-propyl-, (2-chloroethyl) ester
Database identifiers
- CAS
78218-98-1- PubChem CID
- 3060587
- DTXSID
DTXSID50999490- Nikkaji
- J96.870F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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