Cas no 18226-20-5 ( )
structure
Product Name:
CAS No:18226-20-5
MF:C10H14N2O3
MW:210.229762554169
CID:907021
PubChem ID:294836
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-2-(4-nitroanilino)propan-1-ol
- 2-(4-Nitro-anilino)-2-methyl-propan-1-ol
- 2-< 4-Nitro-anilino> -2-methyl-propan-1-ol
- AC1L6MSA
- NSC163885
- 18226-20-5
- AKOS009016594
- NSC-163885
- DTXSID80304013
-
-
- Inchi： 1S/C10H14N2O3/c1-10(2,7-13)11-8-3-5-9(6-4-8)12(14)15/h3-6,11,13H,7H2,1-2H3
- InChI Key： LCSCQCLKOFEBCL-UHFFFAOYSA-N
- SMILES： OCC(C)(C)NC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 210.10052
- Monoisotopic Mass: 210.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 217
- 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: 1.7
- Topological Polar Surface Area: 78.1?2
Experimental Properties
- Density: 1.252
- Boiling Point: 387.2°C at 760 mmHg
- Flash Point: 188°C
- Refractive Index: 1.605
- PSA: 75.4
- LogP: 2.37380
Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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