Cas no 58725-40-9 (Benzoic acid, 4-[(1-oxododecyl)amino]-)
![Benzoic acid, 4-[(1-oxododecyl)amino]- structure](https://ossimg.kuujia.com/scimg/59000/58725-40-9x500.png)
58725-40-9 structure
Product Name:Benzoic acid, 4-[(1-oxododecyl)amino]-
CAS No:58725-40-9
MF:C19H29NO3
MW:319.438465833664
CID:341113
PubChem ID:4694979
Update Time:2025-04-19
Benzoic acid, 4-[(1-oxododecyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(1-oxododecyl)amino]-
- 4-(dodecanoylamino)benzoic acid
- N-(n-dodecanoyl)-p-aminobenzoic acid
- YMAAMSKAPGRCCN-UHFFFAOYSA-N
- SCHEMBL76386
- 4-DODECANAMIDOBENZOIC ACID
- p-(N-Dodecanoylamino)-Benzoic Acid
- AKOS001584761
- 58725-40-9
- DTXSID30405645
-
- Inchi： 1S/C19H29NO3/c1-2-3-4-5-6-7-8-9-10-11-18(21)20-17-14-12-16(13-15-17)19(22)23/h12-15H,2-11H2,1H3,(H,20,21)(H,22,23)
- InChI Key： YMAAMSKAPGRCCN-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCC)NC1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 319.21487
- Monoisotopic Mass: 319.21474379g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 12
- Complexity: 336
- 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: 5.8
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.4
Benzoic acid, 4-[(1-oxododecyl)amino]- Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
58725-40-9 (Benzoic acid, 4-[(1-oxododecyl)amino]-) Related Products
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