Cas no 33478-03-4 (Thermopsine)
Thermopsine structure
Product Name:Thermopsine
CAS No:33478-03-4
MF:C15H21BrN2O
MW:325.244043111801
CID:918002
PubChem ID:54605823
Update Time:2025-04-19
Thermopsine Chemical and Physical Properties
Names and Identifiers
-
- Thermopsine
- 3,4,5,6-Tetradehydrospartein-2-one
- AC1L3OSV
- AC1Q6APT
- Anagyrine, monohydrobromide
- d-Thermopsine
- ANAGYRINE, HYDROBROMIDE
- NSC76019
- NSC 76019
- 33478-03-4
- NSC-76019
-
- Inchi： 1S/C15H20N2O.BrH/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11;/h3,5-6,11-13H,1-2,4,7-10H2;1H/t11-,12-,13-;/m1./s1
- InChI Key： FJFXJZVNFFKWHQ-NLPVPVDASA-N
- SMILES： Br.O=C1C=CC=C2[C@H]3CN4CCCC[C@@H]4[C@@H](CN21)C3
Computed Properties
- Exact Mass: 324.08400
- Monoisotopic Mass: 244.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 440
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 23.6A^2
Experimental Properties
- Density: 1.22
- Melting Point: 205-206℃
- Boiling Point: 455.6°Cat760mmHg
- Flash Point: 216.3°C
- Refractive Index: 1.628
- PSA: 25.24000
- LogP: 2.71590
Thermopsine Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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