Cas no 174680-07-0 (1-Isopropyloctahydro-1,5-diazocine)
174680-07-0 structure
Product Name:1-Isopropyloctahydro-1,5-diazocine
CAS No:174680-07-0
MF:C9H20N2
MW:156.268502235413
CID:851260
Update Time:2023-08-02
1-Isopropyloctahydro-1,5-diazocine Chemical and Physical Properties
Names and Identifiers
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- 1,5-Diazocine,octahydro-1-(1-methylethyl)-(9CI)
- 1-Isopropyloctahydro-1,5-diazocine
- 1-isopropyl-1,5-diazacyclooctane
-
- Inchi： 1S/C9H20N2/c1-9(2)11-7-3-5-10-6-4-8-11/h9-10H,3-8H2,1-2H3
- InChI Key： ZTUIWSJUPJWKLN-UHFFFAOYSA-N
- SMILES： N1(C(C)C)CCCNCCC1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 93.7
- XLogP3: 1.1
- Topological Polar Surface Area: 15.3
1-Isopropyloctahydro-1,5-diazocine Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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