Cas no 22272-09-9 (1,4-Naphthalenedione,2-chloro-3-[[3-(dimethylamino)propyl]amino]-)
![1,4-Naphthalenedione,2-chloro-3-[[3-(dimethylamino)propyl]amino]- structure](https://ossimg.kuujia.com/scimg/22500/22272-09-9x500.png)
22272-09-9 structure
Product Name:1,4-Naphthalenedione,2-chloro-3-[[3-(dimethylamino)propyl]amino]-
CAS No:22272-09-9
MF:C15H17ClN2O2
MW:292.760682821274
CID:259817
PubChem ID:31108
Update Time:2025-04-19
1,4-Naphthalenedione,2-chloro-3-[[3-(dimethylamino)propyl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-chloro-3-[[3-(dimethylamino)propyl]amino]-
- 2-chloro-3-[3-(dimethylamino)propylamino]naphthalene-1,4-dione
- 1,4-NAPHTHOQUINONE, 2-CHLORO-3-(3-(DIMETHYLAMINO)PROPYLAMINO)-
- 2-Chloro-3-(3-dimethylaminopropylamino)-1,4-naphthoquinone
- 3-(3-Dimethylamino-propylamino)-2-chlor-1,4-naphthochinon
- 3-< 3-Dimethylamino-propylamino> -2-chlor-1,4-naphthochinon
- AC1L1KY7
- BRN 3096580
- CTK8H6637
- LS-95626
- NSC39349
- 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione
- DTXSID20176817
- NSC-39349
- NSC 39349
- 1, 2-chloro-3-[[3-(dimethylamino)propyl]amino]-
- CHEMBL4286829
- 1, 2-chloro-3-(3-(dimethylamino)propylamino)-
- UNII-D4KEG8DS4C
- 22272-09-9
- D4KEG8DS4C
-
- Inchi： 1S/C15H17ClN2O2/c1-18(2)9-5-8-17-13-12(16)14(19)10-6-3-4-7-11(10)15(13)20/h3-4,6-7,17H,5,8-9H2,1-2H3
- InChI Key： FLTZGMPLSGEVAO-UHFFFAOYSA-N
- SMILES： ClC1C(C2C=CC=CC=2C(C=1NCCCN(C)C)=O)=O
Computed Properties
- Exact Mass: 292.09801
- Monoisotopic Mass: 292.098
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 432
- 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: 3.1
- Topological Polar Surface Area: 49.4A^2
Experimental Properties
- Density: 1.26
- Boiling Point: 396.9°Cat760mmHg
- Flash Point: 193.8°C
- Refractive Index: 1.593
- PSA: 49.41
- LogP: 2.44820
1,4-Naphthalenedione,2-chloro-3-[[3-(dimethylamino)propyl]amino]- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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