Cas no 89444-83-7 (Benzenamine, 3-methoxy-5-methyl-, compd. with 2,4,6-trinitrophenol(1:1))
89444-83-7 structure
Product Name:Benzenamine, 3-methoxy-5-methyl-, compd. with 2,4,6-trinitrophenol(1:1)
CAS No:89444-83-7
MF:C14H14N4O8
MW:366.282963275909
CID:600391
PubChem ID:71324295
Update Time:2025-04-19
Benzenamine, 3-methoxy-5-methyl-, compd. with 2,4,6-trinitrophenol(1:1) Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, 3-methoxy-5-methyl-, compd. with 2,4,6-trinitrophenol(1:1)
- 3-methoxy-5-methylaniline,2,4,6-trinitrophenol
- 2,4,6-Trinitrophenol--3-methoxy-5-methylaniline (1/1)
- DTXSID80753784
- 89444-83-7
-
- Inchi： 1S/C8H11NO.C6H3N3O7/c1-6-3-7(9)5-8(4-6)10-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5H,9H2,1-2H3;1-2,10H
- InChI Key： KYWGUBRZVDCQKS-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=C(C)C=1)N.OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 366.08116342g/mol
- Monoisotopic Mass: 366.08116342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 26
- Rotatable Bond Count: 1
- Complexity: 397
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 193?2
Benzenamine, 3-methoxy-5-methyl-, compd. with 2,4,6-trinitrophenol(1:1) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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