Cas no 13045-87-9 ()
structure
Product Name:
CAS No:13045-87-9
MF:C11H15N5O
MW:233.269701242447
CID:6645686
PubChem ID:822238
Update Time:2024-03-01
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C11H15N5O/c1-5(2)17-10-8-9(15-11(12)16-10)14-7(4)6(3)13-8/h5H,1-4H3,(H2,12,14,15,16)
- InChI Key： BZCRKMQTHLHKRU-UHFFFAOYSA-N
- SMILES： O(C1C2C(N=C(N)N=1)=NC(C)=C(C)N=2)C(C)C
Computed Properties
- Exact Mass: 233.128
- Monoisotopic Mass: 233.128
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 262
- 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: 1.4
- Topological Polar Surface Area: 86.8?2
Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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5. 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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