Cas no 55791-57-6 (Benzoic acid, 4-(dodecylamino)-)
55791-57-6 structure
Product Name:Benzoic acid, 4-(dodecylamino)-
CAS No:55791-57-6
MF:C19H31NO2
MW:305.454945802689
CID:350894
PubChem ID:17763043
Update Time:2025-04-19
Benzoic acid, 4-(dodecylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(dodecylamino)-
- 4-(dodecylamino)benzoic acid
- DTXSID20590877
- 55791-57-6
- SCHEMBL6372020
- 4-Dodecylamino-benzoic acid
- CHEMBL29287
-
- Inchi： 1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-16-20-18-14-12-17(13-15-18)19(21)22/h12-15,20H,2-11,16H2,1H3,(H,21,22)
- InChI Key： XJPFHIYOQHZAOW-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)NCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 305.23563
- Monoisotopic Mass: 305.235479232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 13
- Complexity: 273
- 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: 7
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
Benzoic acid, 4-(dodecylamino)- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
55791-57-6 (Benzoic acid, 4-(dodecylamino)-) Related Products
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