Cas no 75980-37-9 (Hexanoic acid,6-amino-, octyl ester, hydrochloride (1:1))
75980-37-9 structure
Product Name:Hexanoic acid,6-amino-, octyl ester, hydrochloride (1:1)
CAS No:75980-37-9
MF:C14H29NO2
MW:243.385564565659
CID:569396
PubChem ID:177762
Update Time:2025-04-19
Hexanoic acid,6-amino-, octyl ester, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,6-amino-, octyl ester, hydrochloride (1:1)
- octyl 6-aminocaproate
- epsilon-Aminocaproic acid 1-octyl ester
- OCEAC
- 16625-94-8
- 75980-37-9
- Hexanoic acid, 6-amino-, octyl ester, hydrochloride
- Octyl epsilon-aminocaproate
- SCHEMBL3958787
- DTXSID20937182
- AKOS010557741
- octyl 6-aminohexanoate
- Hexanoic acid, 6-amino-, octyl ester
-
- Inchi： 1S/C14H29NO2/c1-2-3-4-5-6-10-13-17-14(16)11-8-7-9-12-15/h2-13,15H2,1H3
- InChI Key： RWQXXPMKLWJWEU-UHFFFAOYSA-N
- SMILES： O(C(CCCCCN)=O)CCCCCCCC
Computed Properties
- Exact Mass: 243.219829168g/mol
- Monoisotopic Mass: 243.219829168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 13
- Complexity: 172
- 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: 3.6
- Topological Polar Surface Area: 52.3?2
Hexanoic acid,6-amino-, octyl ester, hydrochloride (1:1) Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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