Cas no 59467-98-0 (3H-1,4-Benzodiazepin-2-amine, N-methyl-N-nitroso-5-phenyl-)
59467-98-0 structure
Product Name:3H-1,4-Benzodiazepin-2-amine, N-methyl-N-nitroso-5-phenyl-
CAS No:59467-98-0
MF:C16H14N4O
MW:278.308562755585
CID:338598
PubChem ID:13043617
Update Time:2025-04-19
3H-1,4-Benzodiazepin-2-amine, N-methyl-N-nitroso-5-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 3H-1,4-Benzodiazepin-2-amine, N-methyl-N-nitroso-5-phenyl-
- N-methyl-N-(5-phenyl-3H-1,4-benzodiazepin-2-yl)nitrous amide
- DTXSID30516129
- SCHEMBL7307922
- 59467-98-0
-
- Inchi: 1S/C16H14N4O/c1-20(19-21)15-11-17-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-15/h2-10H,11H2,1H3
- InChI Key: FAQUSGFYTCTEMJ-UHFFFAOYSA-N
- SMILES: O=NN(C)C1CN=C(C2C=CC=CC=2)C2C=CC=CC=2N=1
Computed Properties
- Exact Mass: 278.11692
- Monoisotopic Mass: 278.11676108g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 440
- 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: 2.4
- Topological Polar Surface Area: 57.4?2
Experimental Properties
- PSA: 57.39
3H-1,4-Benzodiazepin-2-amine, N-methyl-N-nitroso-5-phenyl- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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