2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(N-(2-chloroethyl)-N-(3-chloropropyl)amino)-, 2-oxide
Basic information
- CAS
78149-84-5- Standard SMILES
O=P1(N(CCCl)CCCCl)NCCCO1- InChIKey
OWYYZIMSRWRGNS-UHFFFAOYSA-N- Molecular formula
- C8H17Cl2N2O2P
- Average molar mass
- 275.11 g/mol
- Monoisotopic mass
- 274.0404702
Names & identifiers
- Preferred name
- 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(N-(2-chloroethyl)-N-(3-chloropropyl)amino)-, 2-oxide
- IUPAC
- N-(2-chloroethyl)-N-(3-chloropropyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Names & synonyms
B 689Tetrahydro-2-(N-(2-chloroethyl)-N-(3-chloropropyl)amino)-2H-1,3,2-oxazaphosphorine 2-oxide78149-84-52H-1,3,2-Oxazaphosphorine, tetrahydro-2-(N-(2-chloroethyl)-N-(3-chloropropyl)amino)-, 2-oxideRefChem:267725DTXSID509993942-[(2-Chloroethyl)(3-chloropropyl)amino]-1,3,2lambda~5~-oxazaphosphinan-2-one
Database identifiers
- CAS
78149-84-5- PubChem CID
- 3060469
- DTXSID
DTXSID50999394- Nikkaji
- J78.575J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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