Cas no 181034-51-5 (1H-Indeno[1,2-b]pyrazine,2,3,4,4a,9,9a-hexahydro-1-methyl-, cis- (9CI))
![1H-Indeno[1,2-b]pyrazine,2,3,4,4a,9,9a-hexahydro-1-methyl-, cis- (9CI) structure](https://ossimg.kuujia.com/scimg/181500/181034-51-5x500.png)
181034-51-5 structure
Product Name:1H-Indeno[1,2-b]pyrazine,2,3,4,4a,9,9a-hexahydro-1-methyl-, cis- (9CI)
CAS No:181034-51-5
MF:C12H16N2
MW:188.268842697144
CID:113597
PubChem ID:45115726
Update Time:2025-04-18
1H-Indeno[1,2-b]pyrazine,2,3,4,4a,9,9a-hexahydro-1-methyl-, cis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indeno[1,2-b]pyrazine,2,3,4,4a,9,9a-hexahydro-1-methyl-, cis- (9CI)
- (4AS,9AR)-1-METHYL-2,3,4,4A,9,9A-HEXAHYDRO-1H-INDENO[1,2-B]PYRAZINE
- 1H-Indeno[1,2-b]pyrazine,2,3,4,4a,9,9a-hexahydro-1-methyl-,cis-(9CI)
- 181034-51-5
-
- Inchi： 1S/C12H16N2/c1-14-7-6-13-12-10-5-3-2-4-9(10)8-11(12)14/h2-5,11-13H,6-8H2,1H3/t11-,12+/m1/s1
- InChI Key： PYTAZDORQTXQBH-NEPJUHHUSA-N
- SMILES： N1(C)CCN[C@H]2C3C=CC=CC=3C[C@@H]12
Computed Properties
- Exact Mass: 188.131
- Monoisotopic Mass: 188.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 15.3A^2
- XLogP3: 1.2
1H-Indeno[1,2-b]pyrazine,2,3,4,4a,9,9a-hexahydro-1-methyl-, cis- (9CI) Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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