Cas no 119940-87-3 (Cyclohexaneheptanoicacid, 2-amino-6-hexyl-)
119940-87-3 structure
Product Name:Cyclohexaneheptanoicacid, 2-amino-6-hexyl-
CAS No:119940-87-3
MF:C19H37NO2
MW:311.502586126328
CID:163955
PubChem ID:128991
Update Time:2025-04-19
Cyclohexaneheptanoicacid, 2-amino-6-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexaneheptanoicacid, 2-amino-6-hexyl-
- 2-(6'-carboxyhexyl)-3-n-hexylcyclohexylamine
- 7-(2-amino-6-hexylcyclohexyl)heptanoic acid
- Ibi-P 05006
- Ibi-P-05006
- SCHEMBL2944451
- Cyclohexaneheptanoic acid, 2-amino-6-hexyl-
- DTXSID20923146
- 119940-87-3
-
- Inchi： 1S/C19H37NO2/c1-2-3-4-7-11-16-12-10-14-18(20)17(16)13-8-5-6-9-15-19(21)22/h16-18H,2-15,20H2,1H3,(H,21,22)
- InChI Key： LWRZEZLGHYSEQE-UHFFFAOYSA-N
- SMILES： OC(CCCCCCC1C(CCCC1CCCCCC)N)=O
Computed Properties
- Exact Mass: 311.28261
- Monoisotopic Mass: 311.282
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 12
- Complexity: 293
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- Density: 0.937
- Boiling Point: 445°Cat760mmHg
- Flash Point: 222.9°C
- Refractive Index: 1.472
- PSA: 63.32
Cyclohexaneheptanoicacid, 2-amino-6-hexyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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