Basic information
- CAS
21089-40-7- Standard SMILES
O=P1(N(CCCl)CCCl)OCCCO1- InChIKey
ZONOPUXXUUEOEC-UHFFFAOYSA-N- Molecular formula
- C7H14Cl2NO3P
- Average molar mass
- 262.07 g/mol
- Monoisotopic mass
- 261.0088357
Names & identifiers
- Preferred name
- Bis(2-chloroethyl)tetrahydro-1,3,2-dioxaphosphorin-2-amine 2-oxide, N,N-
- IUPAC
- N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
- English name
- 2-[Bis(2-chloroethyl)amino]-1,3,2-dioxaphosphorinane 2-oxide
- Molecular formula
- C7H14Cl2NO3P
- Molecular weight
- 262.07
Names & synonyms
21089-40-74JK5R9MB3CNSC-52694Bis(2-chloroethyl)tetrahydro-1,3,2-dioxaphosphorin-2-amine 2-oxide, N,N-RefChem:10799252-(Bis(2-chloroethyl)amino)-1,3,2-dioxaphosphorinane 2-oxide2-[Bis(2-chloroethyl)amino]-1,3,2-dioxaphosphorinane 2-oxide1,3,2-Dioxaphosphorinan-2-amine, N,N-bis(2-chloroethyl)-, 2-oxideN,N-Bis(2-chloroethyl)tetrahydro-1,3,2-dioxaphosphorin-2-amine 2-oxide63394-91-2B 525NSC 52694
Show more names
1-[Bis(2-chloroethyl)amino]-2,6-dioxaphosphorinane 1-oxide
BRN 2416909UNII-4JK5R9MB3C1,3,2-DIOXAPHOSPHORINANE, 2-(BIS(2-CHLOROETHYL)AMINO)-, 2-OXIDEBAYER B 525DTXSID20943400Bis(2-chloroethyl)phosphoramidic acid cyclic trimethylene esterNSC52694Phosphoramidic acid, bis(2-chloroethyl)-, cyclic trimethylene ester
Database identifiers
- CAS
21089-40-7、63394-91-2- PubChem CID
- 44478
- DTXSID
DTXSID20943400
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 318.8 · 318.8±52.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- -2.85 · -2.85±0.20(Predicted)
- FDA UNII
- 4 JK5R9MB3C · 4JK5R9MB3C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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