Cas no 22272-16-8 (1,4-Naphthalenedione,2-chloro-3-(pentylamino)-)
22272-16-8 structure
Product Name:1,4-Naphthalenedione,2-chloro-3-(pentylamino)-
CAS No:22272-16-8
MF:C15H16ClNO2
MW:277.746043205261
CID:259345
PubChem ID:260189
Update Time:2025-04-19
1,4-Naphthalenedione,2-chloro-3-(pentylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-chloro-3-(pentylamino)-
- 2-chloro-3-(pentylamino)naphthalene-1,4-dione
- 2-chloro-3-pentylamino-1,4-naphthoquinone
- 3-Pentylamino-2-chlor-1,4-naphthochinon
- AC1L62MM
- AC1Q6B4W
- AR-1E0116
- CTK4E9059
- NCIOpen2_005750
- NSC91110
- SureCN7962344
- SCHEMBL7962344
- 22272-16-8
- NSC-91110
- DTXSID90293646
-
- Inchi： 1S/C15H16ClNO2/c1-2-3-6-9-17-13-12(16)14(18)10-7-4-5-8-11(10)15(13)19/h4-5,7-8,17H,2-3,6,9H2,1H3
- InChI Key： PJZWAOXJZMWKQG-UHFFFAOYSA-N
- SMILES： ClC1C(C2C=CC=CC=2C(C=1NCCCCC)=O)=O
Computed Properties
- Exact Mass: 277.08708
- Monoisotopic Mass: 277.087
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 403
- 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: 4.5
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- Density: 1.23
- Boiling Point: 379.3°Cat760mmHg
- Flash Point: 183.2°C
- Refractive Index: 1.577
- PSA: 46.17
- LogP: 3.68670
1,4-Naphthalenedione,2-chloro-3-(pentylamino)- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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