Cas no 16609-40-8 (4a,8a-(Methaniminomethano)naphthalene-9,11-dione,1,4,5,8-tetrahydro-)
16609-40-8 structure
Product Name:4a,8a-(Methaniminomethano)naphthalene-9,11-dione,1,4,5,8-tetrahydro-
CAS No:16609-40-8
MF:C12H13NO2
MW:203.237123250961
CID:140951
PubChem ID:27962
Update Time:2025-04-19
4a,8a-(Methaniminomethano)naphthalene-9,11-dione,1,4,5,8-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 4a,8a-(Methaniminomethano)naphthalene-9,11-dione,1,4,5,8-tetrahydro-
- Δ2,6-Hexalin-9,10-dicarbonsaeureimid
- BRN 1531498
- 1,4,5,8-Tetrahydro-4a,8a-(methaniminomethano)naphhlalene-9,11-dione
- 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-(9CI)
- 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboximide
- 16609-40-8
- 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-
- 4a,8a-NAPHTHALENEDICARBOXIMIDE, 1,4,5,8-TETRAHYDRO-
- DTXSID20168075
- 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- (9CI)
-
- Inchi： 1S/C12H13NO2/c14-9-11-5-1-2-6-12(11,10(15)13-9)8-4-3-7-11/h1-4H,5-8H2,(H,13,14,15)
- InChI Key： QXFLJTZDJRFOKL-UHFFFAOYSA-N
- SMILES： O=C1C23CC=CCC2(C(N1)=O)CC=CC3
Computed Properties
- Exact Mass: 203.09469
- Monoisotopic Mass: 203.094629
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 352
- 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: 46.2
- XLogP3: 1
Experimental Properties
- Density: 1.27
- Boiling Point: 410.2°C at 760 mmHg
- Flash Point: 181.9°C
- Refractive Index: 1.606
- PSA: 46.17
4a,8a-(Methaniminomethano)naphthalene-9,11-dione,1,4,5,8-tetrahydro- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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