Cas no 3151-53-9 (4-(dibutylamino)-4-oxobutanoic acid)
3151-53-9 structure
Product Name:4-(dibutylamino)-4-oxobutanoic acid
CAS No:3151-53-9
MF:C12H23NO3
MW:229.315923929214
CID:1447583
PubChem ID:3380456
Update Time:2025-04-20
4-(dibutylamino)-4-oxobutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(dibutylamino)-4-oxobutanoic acid
- butanoic acid, 4-(dibutylamino)-4-oxo-
- LogP
- SCHEMBL10787440
- 3151-53-9
- DTXSID401293131
- AKOS002845656
-
- Inchi： 1S/C12H23NO3/c1-3-5-9-13(10-6-4-2)11(14)7-8-12(15)16/h3-10H2,1-2H3,(H,15,16)
- InChI Key： BULAIZDRJQHIDS-UHFFFAOYSA-N
- SMILES： O=C(CCC(=O)O)N(CCCC)CCCC
Computed Properties
- Exact Mass: 229.16789
- Monoisotopic Mass: 229.16779360g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 208
- 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: 1.7
- Topological Polar Surface Area: 57.6?2
Experimental Properties
- PSA: 57.61
4-(dibutylamino)-4-oxobutanoic acid Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
3151-53-9 (4-(dibutylamino)-4-oxobutanoic acid) Related Products
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