Cas no 69637-44-1 (Butanoic acid, 4-(dihexadecylamino)-4-oxo-)
69637-44-1 structure
Product Name:Butanoic acid, 4-(dihexadecylamino)-4-oxo-
CAS No:69637-44-1
MF:C36H71NO3
MW:565.953851938248
CID:391554
PubChem ID:71374388
Update Time:2025-04-19
Butanoic acid, 4-(dihexadecylamino)-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-(dihexadecylamino)-4-oxo-
- 4-(dihexadecylamino)-4-oxobutanoic acid
- DTXSID30797173
- 69637-44-1
- N,N-dihexadecylsuccinamic acid
-
- Inchi： 1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37(35(38)31-32-36(39)40)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,39,40)
- InChI Key： TXTMOUPZSLGOLR-UHFFFAOYSA-N
- SMILES： O=C(CCC(=O)O)N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 565.54339513g/mol
- Monoisotopic Mass: 565.54339513g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 40
- Rotatable Bond Count: 33
- Complexity: 504
- 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: 14.7
- Topological Polar Surface Area: 57.6?2
Butanoic acid, 4-(dihexadecylamino)-4-oxo- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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