Cas no 152387-40-1 (Benzonitrile, 4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-)
152387-40-1 structure
Product Name:Benzonitrile, 4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-
CAS No:152387-40-1
MF:C17H24N2O4
MW:320.383464813232
CID:1325673
PubChem ID:11232446
Update Time:2025-04-20
Benzonitrile, 4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-
- 4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)benzonitrile
- 152387-40-1
- SCHEMBL8013756
- DTXSID40459614
-
- Inchi： 1S/C17H24N2O4/c18-15-16-1-3-17(4-2-16)19-5-7-20-9-11-22-13-14-23-12-10-21-8-6-19/h1-4H,5-14H2
- InChI Key： ZYVDDTCGVZOZCW-UHFFFAOYSA-N
- SMILES： O1CCOCCOCCOCCN(C2C=CC(C#N)=CC=2)CC1
Computed Properties
- Exact Mass: 320.17372
- Monoisotopic Mass: 320.17360725g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 334
- 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: 0.9
- Topological Polar Surface Area: 64?2
Experimental Properties
- PSA: 63.95
Benzonitrile, 4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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