2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-4,5-dimethyl-6-propyl-, 2-oxide
Basic information
- CAS
78219-97-3- Standard SMILES
CCCC1OP(=O)(N(CCCl)CCCl)NC(C)C1C- InChIKey
QZSZEOYSBMTGPI-UHFFFAOYSA-N- Molecular formula
- C12H25Cl2N2O2P
- Average molar mass
- 331.22 g/mol
- Monoisotopic mass
- 330.1030704
Names & identifiers
- Preferred name
- 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-4,5-dimethyl-6-propyl-, 2-oxide
- IUPAC
- N,N-bis(2-chloroethyl)-4,5-dimethyl-2-oxo-6-propyl-1,3,2λ5-oxazaphosphinan-2-amine
- English name
- N,N-bis(2-chloroethyl)-4,5-dimethyl-2-oxo-6-propyl-1-oxa-3-aza-2$l^{5} -phosphacyclohexan-2-amine
- Molecular formula
- C12H25Cl2N2O2P
- Molecular weight
- 0
Names & synonyms
B 79278219-97-32H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-4,5-dimethyl-6-propyl-, 2-oxideRefChem:267708DTXSID409995602-[Bis(2-chloroethyl)amino]-4,5-dimethyl-6-propyl-1,3,2lambda~5~-oxazaphosphinan-2-oneB-792Tetrahydro-2-[bis(2-chloroethyl)amino]-4,5-dimethyl-6-propyl-2H-1,3,2-oxazaphosphorine 2-oxideN,N-bis(2-chloroethyl)-4,5-dimethyl-2-oxo-6-propyl-1-oxa-3-aza-2$l^{5} -phosphacyclohexan-2-amine
Database identifiers
- CAS
78219-97-3- PubChem CID
- 3060720
- DTXSID
DTXSID40999560- Nikkaji
- J78.551B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…