Cas no 55907-33-0 (1H-Cycloprop[e]azulene,decahydro-4-isocyano-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7R,7aS,7bS)- (9CI))
![1H-Cycloprop[e]azulene,decahydro-4-isocyano-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7R,7aS,7bS)- (9CI) structure](https://ossimg.kuujia.com/scimg/56000/55907-33-0x500.png)
55907-33-0 structure
Product Name:1H-Cycloprop[e]azulene,decahydro-4-isocyano-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7R,7aS,7bS)- (9CI)
CAS No:55907-33-0
MF:C16H25N
MW:231.376404523849
CID:380429
Update Time:2024-02-29
1H-Cycloprop[e]azulene,decahydro-4-isocyano-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7R,7aS,7bS)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Cycloprop[e]azulene,decahydro-4-isocyano-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7R,7aS,7bS)- (9CI)
- Decahydro-4-isocyano-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene
- 1H-Cycloprop[e]azulene,decahydro-4-isocyano-1,1,4,7-tetramethyl-, [1aR-(1aa,4a,4aa,7a,7ab,7ba)]-
- Axisonitrile 2
-
- Inchi： 1S/C16H25N/c1-10-6-7-11-13(10)14-12(15(14,2)3)8-9-16(11,4)17-5/h10-14H,6-9H2,1-4H3
- InChI Key： HCMIWXOMUXFUFJ-UHFFFAOYSA-N
- SMILES： C1C2C(C3C(C)(C)C3CCC2([N+]#[C-])C)C(C)C1
Computed Properties
- Exact Mass: 231.199
- Monoisotopic Mass: 231.199
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 388
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.965
1H-Cycloprop[e]azulene,decahydro-4-isocyano-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7R,7aS,7bS)- (9CI) Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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