Cas no 900-56-1 (Benzenamine, N,N-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1))
900-56-1 structure
Product Name:Benzenamine, N,N-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1)
CAS No:900-56-1
MF:C14H14N4O6
MW:334.284162998199
CID:795308
PubChem ID:71430523
Update Time:2025-04-19
Benzenamine, N,N-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1) Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, N,N-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1)
- N,N-dimethylaniline,1,3,5-trinitrobenzene
- 900-56-1
- DTXSID60849139
- N,N-Dimethylaniline--1,3,5-trinitrobenzene (1/1)
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- Inchi： 1S/C8H11N.C6H3N3O6/c1-9(2)8-6-4-3-5-7-8;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h3-7H,1-2H3;1-3H
- InChI Key： NEDMFSGKTVIROO-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O.N(C)(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 334.09133418g/mol
- Monoisotopic Mass: 334.09133418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 302
- 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: 141?2
Benzenamine, N,N-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1) Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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
900-56-1 (Benzenamine, N,N-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1)) Related Products
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