Cas no 6828-42-8 (4,4-bis(n,n-dibutyric acid))
4,4-bis(n,n-dibutyric acid) structure
Product Name:4,4-bis(n,n-dibutyric acid)
CAS No:6828-42-8
MF:C8H15NO4
MW:189.209002733231
CID:969869
PubChem ID:4072500
Update Time:2025-04-19
4,4-bis(n,n-dibutyric acid) Chemical and Physical Properties
Names and Identifiers
-
- 4,4-bis(n,n-dibutyric acid)
- 4-(3-carboxypropylamino)butanoic Acid
- 4,4'-AZANEDIYLDIBUTYRIC ACID
- AKOS006278404
- AT37422
- SCHEMBL112741
- 6828-42-8
-
- Inchi: 1S/C8H15NO4/c10-7(11)3-1-5-9-6-2-4-8(12)13/h9H,1-6H2,(H,10,11)(H,12,13)
- InChI Key: HBUXNNBOWNIKNE-UHFFFAOYSA-N
- SMILES: OC(CCCNCCCC(=O)O)=O
Computed Properties
- Exact Mass: 189.10000
- Monoisotopic Mass: 189.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 152
- 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: -2.8
- Topological Polar Surface Area: 86.6?2
Experimental Properties
- PSA: 86.63000
- LogP: 0.69650
4,4-bis(n,n-dibutyric acid) Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
6828-42-8 (4,4-bis(n,n-dibutyric acid)) Related Products
- 1215511-11-7(N-Methyl-4-aminobutyric Acid-d3)
- 7408-81-3(12-(Methylamino)dodecanoic Acid)
- 1119-48-8(N-Methyl-4-aminobutyric Acid)
- 63867-13-0(Butanoic acid,4-(diethylamino)-)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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