Cas no 291-77-0 (3H-1,2-Diazepine)
3H-1,2-Diazepine structure
Product Name:3H-1,2-Diazepine
CAS No:291-77-0
MF:C5H6N2
MW:94.1145405769348
CID:2655933
PubChem ID:19937955
Update Time:2024-02-28
3H-1,2-Diazepine Chemical and Physical Properties
Names and Identifiers
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- 3H-diazepine
- 3H-1,2-Diazepine
- [3h]diazepine
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- Inchi： 1S/C5H6N2/c1-2-4-6-7-5-3-1/h1-4H,5H2
- InChI Key： SPMKLZHLVPRRIZ-UHFFFAOYSA-N
- SMILES： N1CC=CC=CN=1
Computed Properties
- Exact Mass: 94.053
- Monoisotopic Mass: 94.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 122
- 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
- Topological Polar Surface Area: 24.7
- XLogP3: 1.4
3H-1,2-Diazepine Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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