Cas no 107613-19-4 (4-nitro-n,n-dioctylaniline)
4-nitro-n,n-dioctylaniline structure
Product Name:4-nitro-n,n-dioctylaniline
CAS No:107613-19-4
MF:C22H38N2O2
MW:362.54932641983
CID:1184457
PubChem ID:10784896
Update Time:2025-04-20
4-nitro-n,n-dioctylaniline Chemical and Physical Properties
Names and Identifiers
-
- 4-nitro-n,n-dioctylaniline
- SZRZKZJMRKAMEP-UHFFFAOYSA-N
- Benzenamine, 4-nitro-N,N-dioctyl-
- 107613-19-4
- DTXSID20444886
-
- Inchi： 1S/C22H38N2O2/c1-3-5-7-9-11-13-19-23(20-14-12-10-8-6-4-2)21-15-17-22(18-16-21)24(25)26/h15-18H,3-14,19-20H2,1-2H3
- InChI Key： SZRZKZJMRKAMEP-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)N(CCCCCCCC)CCCCCCCC)=O
Computed Properties
- Exact Mass: 362.293328459g/mol
- Monoisotopic Mass: 362.293328459g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 15
- Complexity: 320
- 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: 8.7
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- PSA: 49.06000
- LogP: 7.64540
4-nitro-n,n-dioctylaniline Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
107613-19-4 (4-nitro-n,n-dioctylaniline) Related Products
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