Cas no 37519-63-4 (Butanoic acid, 4-(dioctadecylamino)-4-oxo-)
37519-63-4 structure
Product Name:Butanoic acid, 4-(dioctadecylamino)-4-oxo-
CAS No:37519-63-4
MF:C40H79NO3
MW:622.060173273087
CID:1484295
PubChem ID:10168030
Update Time:2025-04-21
Butanoic acid, 4-(dioctadecylamino)-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-(dioctadecylamino)-4-oxo-
- 4-(dioctadecylamino)-4-oxobutanoic acid
- SCHEMBL527256
- DTXSID10436290
- CQUJVIROQGZGMC-UHFFFAOYSA-N
- 37519-63-4
- n,n-dioctadecylsuccinamic acid
-
- Inchi： 1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41(39(42)35-36-40(43)44)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3,(H,43,44)
- InChI Key： CQUJVIROQGZGMC-UHFFFAOYSA-N
- SMILES： O=C(CCC(=O)O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 621.60637
- Monoisotopic Mass: 621.60599538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 44
- Rotatable Bond Count: 37
- Complexity: 557
- 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: 16.8
- Topological Polar Surface Area: 57.6?2
Experimental Properties
- PSA: 57.61
Butanoic acid, 4-(dioctadecylamino)-4-oxo- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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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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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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