Cas no 591253-35-9 (1-Naphthalenecarbonitrile, 6-(dibutylamino)-)
591253-35-9 structure
Product Name:1-Naphthalenecarbonitrile, 6-(dibutylamino)-
CAS No:591253-35-9
MF:C19H24N2
MW:280.407264709473
CID:339762
PubChem ID:69134693
Update Time:2025-04-19
1-Naphthalenecarbonitrile, 6-(dibutylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarbonitrile, 6-(dibutylamino)-
- 6-(dibutylamino)naphthalene-1-carbonitrile
- 6-(Dibutylamino)-1-naphthonitrile
- 591253-35-9
- DTXSID10739879
- SCHEMBL4663806
-
- Inchi： 1S/C19H24N2/c1-3-5-12-21(13-6-4-2)18-10-11-19-16(14-18)8-7-9-17(19)15-20/h7-11,14H,3-6,12-13H2,1-2H3
- InChI Key： WLXCQBYTMXUTGO-UHFFFAOYSA-N
- SMILES： N(C1C=CC2C(C#N)=CC=CC=2C=1)(CCCC)CCCC
Computed Properties
- Exact Mass: 280.19412
- Monoisotopic Mass: 280.193948774g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 335
- 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: 5.5
- Topological Polar Surface Area: 27?2
Experimental Properties
- PSA: 27.03
1-Naphthalenecarbonitrile, 6-(dibutylamino)- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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