Cas no 922498-99-5 (Ethanone, 1-[4-[bis(chloromethyl)amino]phenyl]-)
![Ethanone, 1-[4-[bis(chloromethyl)amino]phenyl]- structure](https://ossimg.kuujia.com/scimg/922500/922498-99-5x500.png)
922498-99-5 structure
Product Name:Ethanone, 1-[4-[bis(chloromethyl)amino]phenyl]-
CAS No:922498-99-5
MF:C10H11Cl2NO
MW:232.106440782547
CID:740953
PubChem ID:71446519
Update Time:2025-04-19
Ethanone, 1-[4-[bis(chloromethyl)amino]phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[4-[bis(chloromethyl)amino]phenyl]-
- 1-[4-[bis(chloromethyl)amino]phenyl]ethanone
- 1-{4-[Bis(chloromethyl)amino]phenyl}ethan-1-one
- 922498-99-5
- DTXSID70855004
-
- Inchi： 1S/C10H11Cl2NO/c1-8(14)9-2-4-10(5-3-9)13(6-11)7-12/h2-5H,6-7H2,1H3
- InChI Key： PQDVDXLCKDTCSW-UHFFFAOYSA-N
- SMILES： ClCN(CCl)C1C=CC(C(C)=O)=CC=1
Computed Properties
- Exact Mass: 231.0217694g/mol
- Monoisotopic Mass: 231.0217694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 20.3?2
Ethanone, 1-[4-[bis(chloromethyl)amino]phenyl]- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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