Cas no 28917-15-9 (1H-1,3-Diazepin-2-amine,4,5,6,7-tetrahydro-N-nitro-)
28917-15-9 structure
Product Name:1H-1,3-Diazepin-2-amine,4,5,6,7-tetrahydro-N-nitro-
CAS No:28917-15-9
MF:C5H10N4O2
MW:158.15850019455
CID:273429
Update Time:2024-01-27
1H-1,3-Diazepin-2-amine,4,5,6,7-tetrahydro-N-nitro- Chemical and Physical Properties
Names and Identifiers
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- 1H-1,3-Diazepin-2-amine,4,5,6,7-tetrahydro-N-nitro-
- N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)nitramide
- Hexahydro-2-(nitroimino)-1H-1,3-diazepine
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- Inchi： 1S/C5H10N4O2/c10-9(11)8-5-6-3-1-2-4-7-5/h1-4H2,(H2,6,7,8)
- InChI Key： IIUAUCCKFFABTQ-UHFFFAOYSA-N
- SMILES： N1CCCCN/C/1=N\[N+]([O-])=O
Computed Properties
- Exact Mass: 158.0805
- Monoisotopic Mass: 158.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 174
- 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: 82.2A^2
Experimental Properties
- Density: 1.52
- Boiling Point: 282°Cat760mmHg
- Flash Point: 124.4°C
- Refractive Index: 1.648
- PSA: 79.56
1H-1,3-Diazepin-2-amine,4,5,6,7-tetrahydro-N-nitro- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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