Cas no 730-28-9 (1,1''-but-2-yne-1,4-diyldiazepane)
730-28-9 structure
Product Name:1,1''-but-2-yne-1,4-diyldiazepane
1,1''-but-2-yne-1,4-diyldiazepane Chemical and Physical Properties
Names and Identifiers
-
- 1,1''-but-2-yne-1,4-diyldiazepane
- 1-[4-(azepan-1-yl)but-2-ynyl]azepane
- 1-(4-(1-Azepanyl)-2-butynyl)azepane
- AG-G-88373
- CTK5D7261
- NSC407434
- NSC-407434
- SureCN9733197
- 730-28-9
- UNII-3HG052TF3I
- 1H-AZEPINE, 1,1'-(2-BUTYNE-1,4-DIYL)BIS(HEXAHYDRO-
- Anti-T
- DTXSID30223280
- 1,1'-(2-BUTYNE-1,4-DIYL)BIS(HEXAHYDRO-1H-AZEPINE)
- SCHEMBL9733197
- HEXAMETHYLENIMINE, 1,1'-(2-BUTYNYLENE)DI-
- 3HG052TF3I
- NSC 407434
-
- Inchi： 1S/C16H28N2/c1-2-6-12-17(11-5-1)15-9-10-16-18-13-7-3-4-8-14-18/h1-8,11-16H2
- InChI Key： SPHPCGYXRFWXPR-UHFFFAOYSA-N
- SMILES： N1(CC#CCN2CCCCCC2)CCCCCC1
Computed Properties
- Exact Mass: 248.22544
- Monoisotopic Mass: 248.225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 244
- 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
- XLogP3: 2.8
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- Density: 0.953
- Boiling Point: 357.5°C at 760 mmHg
- Flash Point: 155.6°C
- Refractive Index: 1.503
- PSA: 6.48
- LogP: 2.61760
1,1''-but-2-yne-1,4-diyldiazepane Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
730-28-9 (1,1''-but-2-yne-1,4-diyldiazepane) Related Products
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