Basic information
- CAS
21447-39-2- Standard SMILES
Cc1ccc(C(=O)N2CCOCC2)cc1N(CCCl)CCCl- InChIKey
SWMGZHSQTIHKNA-UHFFFAOYSA-N- Molecular formula
- C16H22Cl2N2O2
- Average molar mass
- 345.3 g/mol
- Monoisotopic mass
- 344.1058333
Names & identifiers
- Preferred name
- Morpholine, 4-(3-(bis(2-chloroethyl)amino)-p-toluoyl)-
- IUPAC
- [3-[bis(2-chloroethyl)amino]-4-methylphenyl]-morpholin-4-ylmethanone
- English name
- 4-[3-[Bis(2-chloroethyl)amino]-4-methylbenzoyl]morpholine
- Molecular formula
- C16H22Cl2N2O2
- Molecular weight
- 345.26
Names & synonyms
BRN 159518221447-39-2Ketone, 3-(bis(2-chloroethyl)amino)-p-tolyl morpholino-Morpholine, 4-(3-(bis(2-chloroethyl)amino)-p-toluoyl)-1-(3-(Bis(2-chloroethyl)amino)-4-methylbenzoyl)morpholineRefChem:357759{3-[bis(2-chloroethyl)amino]-4-methylphenyl}(morpholin-4-yl)methanone4-[3-[Bis(2-chloroethyl)amino]-4-methylbenzoyl]morpholineDTXSID80944034Methanone, [3-[bis(2-chloroethyl)amino]-4-methylphenyl]-4-morpholinyl-
Database identifiers
- CAS
21447-39-2- PubChem CID
- 88904
- DTXSID
DTXSID80944034- Nikkaji
- J36.798B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 194.8 °C · 194.8°C (rough estimate)
- Density
- 1.3083 · 1.3083 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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